SCHEMBL3032013

SCHEMBL3032013

CCc1nnc(-c2ccc(S)cc2)o1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
TSHR P16473 2/20 0.49
POLB P06746 2/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 4/20 0.44
NOTUM Q6P988 3/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 8/20 0.43
RAB9A P51151 7/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HPGD P15428 2/20 0.43
GPR55 Q9Y2T6 1/20 0.43
KMT2A Q03164 2/20 0.43
ALOX12 P18054 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 2/20 0.40
TP53 P04637 2/20 0.40
NR1H4 Q96RI1 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL156353 0.83 KMT2A (0.59) MAPTTSHRPOLBUSP2ALDH1A1
SCHEMBL7260633 0.81 NPC1 (0.64) MAPTTSHRPOLBUSP2ALDH1A1
SCHEMBL14438048 0.81 KMT2A (0.62) MAPTTSHRPOLBALDH1A1NOTUM
SCHEMBL13572955 0.81 TSHR (0.73) MAPTTSHRPOLBUSP2LMNA
SCHEMBL8589773 0.81 NPC1 (0.61) MAPTTSHRPOLBUSP2ALDH1A1
SCHEMBL8050653 0.81 PTGS2 (0.52) MAPTTSHRPOLBUSP2ALDH1A1
SCHEMBL8235977 0.81 ALDH1A1 (0.67) MAPTTSHRPOLBALDH1A1NOTUM
SCHEMBL23106548 0.79 NOTUM (0.49) MAPTTSHRPOLBUSP2ALDH1A1
SCHEMBL2388693 0.79 NOTUM (0.54) MAPTTSHRPOLBUSP2ALDH1A1
SCHEMBL18197237 0.79 NR1H4 (0.62) MAPTTSHRPOLBUSP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
US-20090247554-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2009-10-01 US disclosed
US-20090247554-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2009-10-01 US disclosed
WO-2007117995-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-10-18 WO disclosed
EP-1812439-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2007-08-01 EP disclosed
WO-2006044687-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-04-27 WO disclosed
US-20060084650-A1 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-20 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 (3 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-20060084650-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 MAPT 1678/4885TSHR 3665/4885POLB 1015/4885
US-20100216765-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 MAPT 1678/4885TSHR 3665/4885POLB 1015/4885
US-20090247554-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 MAPT 2440/4885TSHR 3633/4885POLB 873/4885

“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.