SCHEMBL369216

SCHEMBL369216

Cc1c[nH]c2cccnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 2/20 0.48
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.43
HSP90AA1 P07900 2/20 0.43
NPC1 O15118 1/20 0.43
GRM4 Q14833 2/20 0.43
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
LMNA P02545 2/20 0.41
ATAD2 Q6PL18 1/20 0.41
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
CCR1 P32246 3/20 0.40
CCR8 P51685 3/20 0.40
HTT P42858 2/20 0.40
COPS5 Q92905 1/20 0.40
SLC6A2 P23975 1/20 0.40
CCR5 P51681 2/20 0.39
NOS3 P29474 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3219684 0.98 PSMD14 (0.47) PSMD14ATML3MBTL1HSP90AA1NPC1
Potassium SCHEMBL3219697 0.98 PSMD14 (0.47) PSMD14ATML3MBTL1HSP90AA1NPC1
SCHEMBL28215217 0.78 TDO2 (0.42) PSMD14ATML3MBTL1NPC1GRM4
SCHEMBL10316366 0.76 PSMD14 (0.50) PSMD14L3MBTL1HSP90AA1NPC1GRM4
SCHEMBL2066259 0.75 PSMD14 (0.48) PSMD14L3MBTL1HSP90AA1NPC1GRM4
SCHEMBL13978041 0.75 PSMD14 (0.48) PSMD14L3MBTL1HSP90AA1NPC1GRM4
SCHEMBL3175822 0.75 PSMD14 (0.48) PSMD14HSP90AA1GRM4LMNAPIM1
SCHEMBL22510135 0.75 PSMD14 (0.48) PSMD14L3MBTL1HSP90AA1GRM4LMNA
SCHEMBL19100792 0.75 GRM4 (0.54) PSMD14L3MBTL1HSP90AA1GRM4LMNA
SCHEMBL31307015 0.75 PSMD14 (0.48) PSMD14HSP90AA1GRM4LMNAPIM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 96 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111819176-B 4-azaindole compounds 百时美施贵宝公司 2023-12-15 CN claimed
EP-2593425-B1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS INC (US) 2018-10-17 EP claimed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US claimed
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2013-07-18 US claimed
EP-2593425-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE Agios Pharmaceuticals, Inc. (US) 2013-05-22 EP claimed
WO-2012009678-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-01-19 WO claimed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
CN-111819176-B 4-azaindole compounds 百时美施贵宝公司 2023-12-15 CN disclosed
US-20230312565-A1 1H-PYRROLO[3,2-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2023-10-05 US disclosed
US-20230295122-A1 1H-BENZO[D]IMIDAZOLE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2023-09-21 US disclosed
WO-2023125376-A1 FUSED BICYCLIC HETEROARYL AMIDE COMPOUND AS PROTEIN AGGREGATION INHIBITOR 上海京新生物医药有限公司 2023-07-06 WO disclosed
EP-4180434-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2023-05-17 EP disclosed
WO-2023018699-A1 SELECTIVE KRAS INHIBITORS ERASCA, INC. (US) 2023-02-16 WO disclosed
US-20080103130-A1 7-hydroxy-6-{[1-methyl-3-(1,3-thiazol-5-yl)propyl]amino}-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one; agonists at the beta-2 adrenoceptor; feed additives for livestock animals; improving meat yield or meat quality PFIZER LIMITED (GB) 2008-05-01 US disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 US disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 US disclosed
US-20070123532-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2007-05-31 US disclosed
WO-2007022501-A2 USEFUL INDOLE COMPOUNDS MICROBIA, INC. (US) 2007-02-22 WO disclosed
US-7166598-B2 e.g 1-[3,5-bis(trifluoromethyl)benzoyl]-2-[3-[(2-methoxyethoxy)-methoxy]-4-methylbenzyl]-4-[2-[(3R)-3-methoxymethyl-morpholino]ethyl]piperazine; treating or preventing Tachykinin-mediated diseases such as asthma, emesis, an anxiety disorder, pollakiuria, urinary incontinence and irritable bowel syndrome ASTELLAS PHARMA INC. (JP) 2007-01-23 US disclosed
US-20060014948-A1 e.g 1-[3,5-bis(trifluoromethyl)benzoyl]-2-[3-[(2-methoxyethoxy)-methoxy]-4-methylbenzyl]-4-[2-[(3R)-3-methoxymethyl-morpholino]ethyl]piperazine; treating or preventing Tachykinin-mediated diseases in humans or animals FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-01-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060014948-A1 e.g 1-[3,5-bis(trifluoromethyl)benzoyl]-2-[3-[(2-methoxyethoxy)-methoxy]-4-methylbenzyl]-4-[2-[(3R)-3-methoxymethyl-morpholino]ethyl]piperazine; treating or preventing Tachykinin-mediated diseases in humans or animals PKD2, TAC3, PKD1 PSMD14 4462/4885ATM 4486/4885L3MBTL1 2649/4885
US-20230295122-A1 1H-BENZO[D]IMIDAZOLE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS TLR9, TLR1, TLR7 PSMD14 4245/4885ATM 300/4885L3MBTL1 3448/4885
US-20080103130-A1 7-hydroxy-6-{[1-methyl-3-(1,3-thiazol-5-yl)propyl]amino}-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one; agonists at the beta-2 adrenoceptor; feed additives for livestock animals; improving meat yield or meat quality ADRB2, ADRB1, ADRA2C PSMD14 2830/4885ATM 1871/4885L3MBTL1 3143/4885
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A PSMD14 3517/4885ATM 571/4885L3MBTL1 1083/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 PSMD14 1882/4885ATM 876/4885L3MBTL1 1271/4885
US-20070123532-A1 PIPERAZINE DERIVATIVES PKD2, SSTR5, IL5 PSMD14 3342/4885ATM 4300/4885L3MBTL1 4833/4885
US-20230312565-A1 1H-PYRROLO[3,2-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS TLR9, TLR1, TLR7 PSMD14 4792/4885ATM 857/4885L3MBTL1 4273/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 PSMD14 3130/4885ATM 4013/4885L3MBTL1 4209/4885
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A PSMD14 3517/4885ATM 571/4885L3MBTL1 1083/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.