SCHEMBL1002768

SCHEMBL1002768

COc1ccc(CN(Cc2cn(-c3ccc(N(C#N)CCO[Si](C)(C)C(C)(C)C)cc3)nc2-c2ccccc2)C(=O)c2ccc(Cl)s2)c(OC)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 3/20 0.34
HSD17B10 Q99714 2/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 5/20 0.33
KDM4E B2RXH2 5/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 2/20 0.32
POLB P06746 1/20 0.32
KDM4A O75164 1/20 0.32
KDM5A P29375 1/20 0.32
KDM5C P41229 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
ALDH1A1 P00352 4/20 0.32
CCNE1 P24864 1/20 0.32

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
SCHEMBL1003236 0.87 CDK2 (0.40) RAB9ANPC1MAPK1HSD17B10TSHR
SCHEMBL1001887 0.82 MAPK1 (0.41) RAB9ANPC1MAPK1HSD17B10TSHR
SCHEMBL1003348 0.79 CDK2 (0.44) RAB9ANPC1MAPK1HSD17B10TSHR
SCHEMBL3511132 0.79 KMT2A (0.39) RAB9ANPC1MAPK1HSD17B10TSHR
SCHEMBL3507730 0.78 F10 (0.45) MAPTKDM5BSSTR5
SCHEMBL12311487 0.77 F10 (0.46) RAB9AMAPK1HSD17B10TSHRMAPT
SCHEMBL3507693 0.76 L3MBTL1 (0.40) RAB9ANPC1MAPK1HSD17B10TSHR
SCHEMBL3510539 0.74 F10 (0.45)
SCHEMBL3508891 0.73 F10 (0.45)
SCHEMBL3506367 0.72 F10 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 RAB9A 3266/4885NPC1 1664/4885MAPK1 2788/4885

“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.