Sugi Predict

Sugi Predict / Compounds / SCHEMBL956809

SCHEMBL956809

SCHEMBL956809

N#CCC(=O)COCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.48
▸ MCL1 Q07820 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ GRM5 P41594 2/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ MME P08473 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CTSS P25774 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ PLA2G4B P0C869 1/20 0.40
▸ CTSL P07711 1/20 0.39
▸ GUSB P08236 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
SCHEMBL7428202 0.83 MCL1 (0.45) MCL1TSHRALDH1A1MMESMN1; SMN2
SCHEMBL476827 0.83 TSHR (0.61) NPC1TSHRGRM5ALDH1A1MAPT
SCHEMBL10852141 0.82 MAOB (0.47) CTSSCTSL
SCHEMBL10850863 0.82 NR4A2 (0.47) GRM5
SCHEMBL10848590 0.82 MAOB (0.46) CTSS
SCHEMBL10853539 0.82 IDO1 (0.45) NPC1MCL1RAB9ASMN1; SMN2CTSS
SCHEMBL7440542 0.81 MCL1 (0.43) MCL1TSHRMMESMN1; SMN2L3MBTL1
SCHEMBL6702666 0.80 TSHR (0.56) NPC1TSHRGRM5ALDH1A1MAPT
Formaldehyde SCHEMBL8658362 0.80 TSHR (0.56) NPC1TSHRGRM5ALDH1A1MAPT
SCHEMBL10859583 0.79 PLA2G4B (0.42) NPC1KMT2ACTSSMEN1PLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117659001-A Aminopyrimidine derivatives and their use in medicine 广东东阳光药业股份有限公司 2024-03-08 — — CN disclosed
CN-107743489-B 7- (morpholin-4-yl) pyrazolo [1,5-a ] pyrimidine derivatives for the treatment of immune, inflammatory or cancer 赛隆制药股份公司 2021-05-04 — — CN disclosed
EP-3277687-B1 7-(MORPHOLIN-4-YL)PYRAZOLE[1,5-A]PYRIMIDINE DERIVATIVES WHICH ARE USEFUL FOR THE TREATMENT OF IMMUNE OR INFLAMMATORY DISEASES OR CANCER Celon Pharma Sa (PL) 2019-10-30 — — EP disclosed
US-10334851-B2 Herbicidal isoxazolo[5,4-B]pyridines BASF SE (DE) 2019-07-02 — — US disclosed
US-10138247-B2 7-(morpholin-4-yl)pyrazole[1,5-A]pyrimidine derivatives as PI3 kinase inhibitors CELON PHARMA, S.A. (PL) 2018-11-27 — — US disclosed
US-20180111939-A1 7-(MORPHOLIN-4-YL)PYRAZOLE[1,5-A]PYRIMIDINE DERIVATIVES WHICH ARE USEFUL FOR THE TREATMENT OF IMMUNE OR INFALMMATORY DISEASES OR CANCER CELON PHARMA S.A. (PL) 2018-04-26 — — US disclosed
EP-3277687-A1 7-(MORPHOLIN-4-YL)PYRAZOLE[1,5-A]PYRIMIDINE DERIVATIVES WHICH ARE USEFUL FOR THE TREATMENT OF IMMUNE OR INFLAMMATORY DISEASES OR CANCER CELON PHARMA S.A. (PL) 2018-02-07 — — EP disclosed
US-9750256-B2 Herbicidal isoxazolo[5,4-B]pyridines BASF SE (DE) 2017-09-05 — — US disclosed
US-9750256-B2 Herbicidal isoxazolo[5,4-B]pyridines BASF SE (DE) 2017-09-05 — — US disclosed
US-9609870-B2 Herbicidal isoxazolo[5,4-b]pyridines BASF SE (DE) 2017-04-04 — — US disclosed
US-20150038332-A1 Herbicidal Isoxazolo[5,4-B]Pyridines BASF SE (DE) 2015-02-05 — — US disclosed
WO-2013104561-A1 HERBICIDAL ISOXAZOLO[5,4-B]PYRIDINES BASF SE (DE) 2013-07-18 — — WO disclosed
US-20130123105-A1 Herbicidal Isoxazolo[5,4-B]pyridines BASF SE (DE) 2013-05-16 — — US disclosed
US-20130123105-A1 Herbicidal Isoxazolo[5,4-B]pyridines BASF SE (DE) 2013-05-16 — — US disclosed
WO-2012010633-A1 HERBICIDAL ISOXAZOLO[5,4-B]PYRIDINES BASF SE (DE) 2012-01-26 — — WO disclosed
US-20110009429-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 NOVARTIS AG (CH) 2011-01-13 — — US disclosed
EP-2257552-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 Novartis AG (CH) 2010-12-08 — — EP disclosed
WO-2009106539-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 NOVARTIS AG (CH) 2009-09-03 — — WO disclosed
US-4874760-A CALCIUM ANTAGONISTS TOA EIYO, LTD. (JP) 1989-10-17 — — US disclosed
EP-0277701-A1 Thiazolopyridine derivative, their production and cardiovascular treating agents containing them TOA EIYO LTD. (JP) 1988-08-10 — — EP 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 (6 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-10334851-B2 Herbicidal isoxazolo[5,4-B]pyridines CYP4X1, PNPO, PRDX4 NPC1 4803/4885MCL1 2738/4885TSHR 2393/4885
US-20130123105-A1 Herbicidal Isoxazolo[5,4-B]pyridines CYP4X1, PNPO, PRDX4 NPC1 4803/4885MCL1 2738/4885TSHR 2393/4885
US-10138247-B2 7-(morpholin-4-yl)pyrazole[1,5-A]pyrimidine derivatives as PI3 kinase inhibitors PIK3CA, PIK3C2A, MAP3K2 NPC1 2123/4885MCL1 1223/4885TSHR 1937/4885
US-20180111939-A1 7-(MORPHOLIN-4-YL)PYRAZOLE[1,5-A]PYRIMIDINE DERIVATIVES WHICH ARE USEFUL FOR THE TREATMENT OF IMMUNE OR INFALMMATORY DISEASES OR CANCER AFF2, INF2, AFF1 NPC1 1627/4885MCL1 1228/4885TSHR 1324/4885
US-20110009429-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 CXCR2, CXCR1, CXCR3 NPC1 2728/4885MCL1 508/4885TSHR 1428/4885
US-20150038332-A1 Herbicidal Isoxazolo[5,4-B]Pyridines CYP4X1, PNPO, PRDX4 NPC1 4803/4885MCL1 2738/4885TSHR 2393/4885

“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.