SCHEMBL10149199

SCHEMBL10149199

Cc1cc2nnnn2c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 9/20 0.47
HPGD P15428 4/20 0.46
TSHR P16473 4/20 0.46
KDM4E B2RXH2 9/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CHEK1 O14757 1/20 0.45
NQO2 P16083 1/20 0.42
HSD17B10 Q99714 3/20 0.39
RECQL P46063 1/20 0.39
TNKS O95271 2/20 0.38
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL12145732 0.81 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1HPGDTSHRKDM4E
SCHEMBL13762559 0.80 CUL4A (0.44) SMN1; SMN2ALDH1A1HPGDTSHRKDM4E
SCHEMBL6098707 0.79 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1HPGDTSHRKDM4E
SCHEMBL4505615 0.79 HPGD (0.43) SMN1; SMN2ALDH1A1HPGDTSHRKDM4E
SCHEMBL5115492 0.79 HPGD (0.43) SMN1; SMN2ALDH1A1HPGDTSHRKDM4E
SCHEMBL12145734 0.79 HPGD (0.40) SMN1; SMN2ALDH1A1HPGDTSHRKDM4E
SCHEMBL13209735 0.76 HPGD (0.41) SMN1; SMN2ALDH1A1HPGDTSHRKDM4E
SCHEMBL13762561 0.76 KIF11 (0.41) SMN1; SMN2ALDH1A1HPGDTSHRKDM4E
SCHEMBL4488811 0.74 HPGD (0.42) SMN1; SMN2ALDH1A1HPGDTSHRKDM4E
SCHEMBL10803023 0.71 HPGD (0.45) ALDH1A1HPGDTSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9169282-B2 Metal complexes MERCK PATENT GMBH (DE) 2015-10-27 US disclosed
US-9169282-B2 Metal complexes MERCK PATENT GMBH (DE) 2015-10-27 US disclosed
US-9040706-B2 Pyrrolidine inhibitors of IAP GENENTECH, INC. (US) 2015-05-26 US disclosed
US-8907092-B2 Inhibitors of IAP GENENTECH, INC. (US) 2014-12-09 US disclosed
US-20140080805-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2014-03-20 US disclosed
US-20120270886-A1 INHIBITORS OF IAP KOEHLER MICHAEL F T (US) 2012-10-25 US disclosed
US-8247557-B2 IAP inhibitors GENENTECH, INC. (US) 2012-08-21 US disclosed
US-20120015974-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2012-01-19 US disclosed
US-20110284799-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-11-24 US disclosed
US-20110284799-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-11-24 US disclosed
US-8063218-B2 Imidazopyridine inhibitors of IAP GENENTECH, INC. (US) 2011-11-22 US disclosed
US-20110218211-A1 AZAINDOLE INHIBITORS OF IAP GENENTECH, INC. (US) 2011-09-08 US disclosed
US-20110077265-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2011-03-31 US disclosed
US-20110046066-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2011-02-24 US disclosed
WO-2010086089-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2010-08-05 WO disclosed
US-20100130539-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP GENENTECH INC. (US) 2010-05-27 US disclosed
US-20090318409-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2009-12-24 US disclosed
US-20090221630-A1 IAP INHIBITORS GENENTECH, INC. 2009-09-03 US disclosed
US-20090176822-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2009-07-09 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 (11 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-20090221630-A1 IAP INHIBITORS XIAP, BIRC5, BIRC3 SMN1; SMN2 2369/4885ALDH1A1 4440/4885HPGD 4452/4885
US-20090176822-A1 PYRROLIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC2 SMN1; SMN2 2913/4885ALDH1A1 4197/4885HPGD 3158/4885
US-20110284799-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 SMN1; SMN2 3736/4885ALDH1A1 3721/4885HPGD 3882/4885
US-20110046066-A1 INHIBITORS OF IAP BIRC5, XIAP, BIRC3 SMN1; SMN2 2624/4885ALDH1A1 4236/4885HPGD 4110/4885
US-20120270886-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 SMN1; SMN2 2250/4885ALDH1A1 4536/4885HPGD 4547/4885
US-20120015974-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC3 SMN1; SMN2 2109/4885ALDH1A1 4176/4885HPGD 3736/4885
US-20110218211-A1 AZAINDOLE INHIBITORS OF IAP XIAP, BIRC5, API5 SMN1; SMN2 2777/4885ALDH1A1 3906/4885HPGD 4384/4885
US-20100130539-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC3 SMN1; SMN2 2109/4885ALDH1A1 4176/4885HPGD 3736/4885
US-20140080805-A1 PYRROLIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC2 SMN1; SMN2 2913/4885ALDH1A1 4197/4885HPGD 3158/4885
US-20090318409-A1 PYRROLIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC2 SMN1; SMN2 2913/4885ALDH1A1 4197/4885HPGD 3158/4885
US-20110077265-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC2 SMN1; SMN2 1078/4885ALDH1A1 4304/4885HPGD 3627/4885

“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.