SCHEMBL3961035

SCHEMBL3961035

CCOC(=O)c1cc2nc(N)ccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 5/20 0.58
RAB9A P51151 5/20 0.58
HPGD P15428 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HSD17B10 Q99714 1/20 0.58
MMP13 P45452 8/20 0.56
MMP2 P08253 6/20 0.56
NPC1 O15118 3/20 0.54
LMNA P02545 2/20 0.54
HTT P42858 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
GAA P10253 2/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
GLA P06280 1/20 0.53
KMT2A Q03164 1/20 0.53
ATM Q13315 1/20 0.53
MMP14 P50281 4/20 0.53

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
SCHEMBL30296802 0.86 ALOX15 (0.59) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL1202083 0.86 ALOX15 (0.59) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL3707866 0.86 RAB9A (0.61) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL31609642 0.83 RAB9A (0.58) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL7920033 0.83 RAB9A (0.58) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL2109109 0.82 RAB9A (0.60) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL30104780 0.80 KDM4E (0.54) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL831147 0.80 KDM4E (0.54) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL4067752 0.80 HSD17B10 (0.39) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL11148656 0.78 HCRTR1 (0.53) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2

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-9758480-B2 1-(cycloalkyl-carbonyl)proline derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-09-12 US disclosed
US-9758480-B2 1-(cycloalkyl-carbonyl)proline derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-09-12 US disclosed
US-9758480-B2 1-(cycloalkyl-carbonyl)proline derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-09-12 US disclosed
US-20150210640-A1 1-(CYCLOALKYL-CARBONYL)PROLINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-07-30 US disclosed
US-20150210640-A1 1-(CYCLOALKYL-CARBONYL)PROLINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-07-30 US disclosed
US-20150210640-A1 1-(CYCLOALKYL-CARBONYL)PROLINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-07-30 US disclosed
EP-2876105-A1 1-(CYCLOALKYL-CARBONYL)PROLINE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2015-05-27 EP disclosed
EP-2876105-A1 1-(CYCLOALKYL-CARBONYL)PROLINE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2015-05-27 EP disclosed
US-20090098189-A1 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-16 US disclosed
US-20090098189-A1 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-16 US disclosed
US-20090098189-A1 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-16 US disclosed
EP-2036906-A1 Azaindoles as inhibitors of soluble adenylate cyclase Bayer Schering Pharma Aktiengesellschaft (DE) 2009-03-18 EP disclosed
WO-2009030725-A2 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-12 WO disclosed
WO-2009030725-A2 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-12 WO 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 (2 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-20090098189-A1 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE ADCY1, ADCY5, ADCY2 KDM4E 2032/4885ALDH1A1 327/4885RAB9A 1792/4885
US-20150210640-A1 1-(CYCLOALKYL-CARBONYL)PROLINE DERIVATIVE RB1, F2, SFPQ KDM4E 688/4885ALDH1A1 3043/4885RAB9A 812/4885

“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.