SCHEMBL6131523

SCHEMBL6131523

c1csc(C2CCCCS2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.53
BRDT Q58F21 1/20 0.49
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 3/20 0.35
BCHE P06276 1/20 0.35
TSHR P16473 4/20 0.34
KDM4E B2RXH2 2/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 4/20 0.34
HPGD P15428 3/20 0.33
RAB9A P51151 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL6747168 0.94 BRD4 (0.54) BRD4BRDTMAPTSMN1; SMN2LMNA
SCHEMBL19512122 0.88
SCHEMBL498606 0.74 MAPT (0.47) BRD4MAPTSMN1; SMN2LMNATSHR
SCHEMBL8648117 0.74 BRD4 (0.47) BRD4BRDTMAPTSMN1; SMN2BCHE
SCHEMBL145927 0.74 MAPT (0.39) BRD4BRDTMAPTSMN1; SMN2LMNA
SCHEMBL930295 0.73 MAPT (0.46) MAPTSMN1; SMN2LMNATSHRKDM4E
SCHEMBL663162 0.73 MAPT (0.46) MAPTSMN1; SMN2LMNATSHRKDM4E
SCHEMBL7468907 0.73 BRD4 (0.44) BRD4BRDTMAPTSMN1; SMN2LMNA
SCHEMBL8648121 0.72 MAOA (0.46) BRD4BRDTMAPTSMN1; SMN2BCHE
SCHEMBL7122480 0.71 MAPT (0.44) MAPTSMN1; SMN2LMNATSHRKDM4E

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10717720-B2 Modified compound of andrographolide HEILONGJIANG ZHENBAODAO PHARMACEUTICAL CO., LTD. (CN) 2020-07-21 US disclosed
US-10654868-B2 Dihydropyrazole azepine compound serving as Akt inhibitor Harbin Zhenbao Pharmaceutical Co., Ltd. (CN) 2020-05-19 US disclosed
EP-3470409-B1 BENZOTRIAZOLE-DERIVED ALPHA AND BETA-UNSATURATED AMIDE COMPOUND USED AS TGF-BETA RI INHIBITOR GENFLEET THERAPEUTICS SHANGHAI INC (CN) 2020-02-12 EP disclosed
US-10548883-B2 Benzotriazole-derived α and β-unsaturated amide compound used as TGF-β RI inhibitor GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2020-02-04 US disclosed
US-20190233434-A1 DIHYDROPYRAZOLE AZEPINE COMPOUND SERVING AS AKT INHIBITOR Harbin Zhenbao Pharmaceutical Co., Ltd. (CN) 2019-08-01 US disclosed
US-20190151299-A1 BENZOTRIAZOLE-DERIVED ALPHA AND BETA-UNSATURATED AMIDE COMPOUND USED AS TGF-BETA RI INHIBITOR GENFLEET THERAPEUTICS SHANGHAI INC. (CN) 2019-05-23 US disclosed
EP-3473628-A1 DIHYDROPYRAZOLE AZEPINE COMPOUND SERVING AS AKT INHIBITOR Medshine Discovery Inc. (CN) 2019-04-24 EP disclosed
EP-3470409-A1 BENZOTRIAZOLE-DERIVED AND UNSATURATED AMIDE COMPOUND USED AS TGF- R1 INHIBITOR Genfleet Therapeutics (Shanghai) Inc. (CN) 2019-04-17 EP disclosed
US-20180346438-A1 MODIFIED COMPOUND OF ANDROGRAPHOLIDE MEDSHINE DISCOVERY INC. (CN) 2018-12-06 US disclosed
EP-3381912-A1 MODIFIED COMPOUND OF ANDROGRAPHOLIDE Heilongjiang Zhenbaodao Pharmaceutical Co., Ltd. (CN) 2018-10-03 EP disclosed
US-6878720-B2 VEGF receptor tyrosine kinase inhibitors NOVARTIS AG (CH) 2005-04-12 US disclosed
US-20030064992-A1 N-aryl (thio) anthranilic acid amide derivatives, their preparation and their use as VEGF receptor tyrosine kinase inhibitors ALTMANN KARL-HEINZ (CH) 2003-04-03 US disclosed
WO-2002032891-A1 FLAVAN COMPOUNDS, THEIR PREPARATION AND THEIR USE IN THERAPY RIBOTARGETS LIMITED (GB) 2002-04-25 WO disclosed
US-6344486-B1 ANTICOAGULANTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-02-05 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 (7 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-10654868-B2 Dihydropyrazole azepine compound serving as Akt inhibitor AKT3, AKT2, AKT1 BRD4 1417/4885BRDT 791/4885MAPT 1651/4885
US-20190233434-A1 DIHYDROPYRAZOLE AZEPINE COMPOUND SERVING AS AKT INHIBITOR AKT3, AKT2, AKT1 BRD4 1417/4885BRDT 791/4885MAPT 1651/4885
US-10548883-B2 Benzotriazole-derived α and β-unsaturated amide compound used as TGF-β RI inhibitor TGFBR1, TGFBR2, TGFB1 BRD4 348/4885BRDT 155/4885MAPT 877/4885
US-20030064992-A1 N-aryl (thio) anthranilic acid amide derivatives, their preparation and their use as VEGF receptor tyrosine kinase inhibitors AXL, TYRO3, NR2E3 BRD4 3779/4885BRDT 690/4885MAPT 3932/4885
US-10717720-B2 Modified compound of andrographolide CYP11B2, CYP11B1, DUSP23 BRD4 4196/4885BRDT 2950/4885MAPT 2914/4885
US-20190151299-A1 BENZOTRIAZOLE-DERIVED ALPHA AND BETA-UNSATURATED AMIDE COMPOUND USED AS TGF-BETA RI INHIBITOR TGFBR1, TGFBR2, TGFB1 BRD4 428/4885BRDT 146/4885MAPT 1087/4885
US-20180346438-A1 MODIFIED COMPOUND OF ANDROGRAPHOLIDE CYP11B2, CYP11B1, DUSP23 BRD4 4196/4885BRDT 2950/4885MAPT 2914/4885

“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.