SCHEMBL1001887

SCHEMBL1001887

COc1ccc(CN(Cc2cn(-c3ccc(I)cc3)nc2-c2ccccc2)C(=O)c2ccc(Cl)s2)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 5/20 0.41
RAB9A P51151 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
NPC1 O15118 1/20 0.39
MAPT P10636 6/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
AGTR1 P30556 1/20 0.38
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 2/20 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
SCHEMBL3507693 0.92 L3MBTL1 (0.40) MAPK1HSD17B10TSHRKDM4ERAB9A
SCHEMBL3511132 0.91 KMT2A (0.39) MAPK1HSD17B10TSHRKDM4ERAB9A
SCHEMBL1003348 0.89 CDK2 (0.44) MAPK1HSD17B10TSHRKDM4ERAB9A
SCHEMBL12311487 0.87 F10 (0.46) MAPK1HSD17B10TSHRKDM4ERAB9A
SCHEMBL3507730 0.86 F10 (0.45) MAPT
SCHEMBL1001613 0.85 GAA (0.39) KDM4EKMT2AMEN1ALDH1A1LMNA
SCHEMBL1003236 0.84 CDK2 (0.40) MAPK1HSD17B10TSHRKDM4ERAB9A
SCHEMBL1002607 0.83 NPC1 (0.37) TSHRKDM4ERAB9ASMN1; SMN2KMT2A
SCHEMBL1002768 0.82 RAB9A (0.34) MAPK1HSD17B10TSHRKDM4ERAB9A
SCHEMBL3510539 0.82 F10 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263624-B2 Aryl-substituted heterocycles, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-09-11 US disclosed
US-8263624-B2 Aryl-substituted heterocycles, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-09-11 US disclosed
US-8263624-B2 Aryl-substituted heterocycles, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-09-11 US disclosed
US-20110015241-A1 SUBSTITUTED HETEROCYCLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-20 US disclosed
US-20110015241-A1 SUBSTITUTED HETEROCYCLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-20 US disclosed
US-20110015241-A1 SUBSTITUTED HETEROCYCLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-20 US disclosed
US-20100029651-A1 ARYL-SUBSTITUTED HETEROCYCLES, AND USE THEREOF BAYER HEALTHCARE AG 2010-02-04 US disclosed
US-20100029651-A1 ARYL-SUBSTITUTED HETEROCYCLES, AND USE THEREOF BAYER HEALTHCARE AG 2010-02-04 US disclosed
US-20100029651-A1 ARYL-SUBSTITUTED HETEROCYCLES, AND USE THEREOF BAYER HEALTHCARE AG 2010-02-04 US disclosed
WO-2007137791-A1 ARYL-SUBSTITUTED HETEROCYCLES, AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-12-06 WO disclosed
WO-2007137792-A1 SUBSTITUTED HETEROCYCLES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-12-06 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-20110015241-A1 SUBSTITUTED HETEROCYCLES AND USE THEREOF F2, VKORC1, HMBS MAPK1 2788/4885HSD17B10 660/4885TSHR 2267/4885
US-20100029651-A1 ARYL-SUBSTITUTED HETEROCYCLES, AND USE THEREOF AHR, CYP2C19, PAH MAPK1 1980/4885HSD17B10 935/4885TSHR 1170/4885

“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.