SCHEMBL8736791

SCHEMBL8736791

Cc1cccc(Sc2cccnc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GRM5 P41594 1/20 0.42
▸ CYP2A6 P11509 1/20 0.42
▸ NPY5R Q15761 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ICAM1 P05362 1/20 0.41
▸ SELE P16581 1/20 0.41
▸ PRMT5 O14744 1/20 0.40
▸ WDR77 Q9BQA1 1/20 0.40
▸ TYMS P04818 1/20 0.40
▸ ACHE P22303 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ GABRA3 P34903 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL575896 0.82 ACHE (0.58) SMN1; SMN2GRM5MAPTNPSR1ICAM1
SCHEMBL29468631 0.82 ACHE (0.58) SMN1; SMN2GRM5MAPTNPSR1ICAM1
SCHEMBL29543680 0.82 ACHE (0.58) SMN1; SMN2GRM5MAPTNPSR1ICAM1
SCHEMBL9548473 0.82 CYP2A6 (0.50) SMN1; SMN2CYP2A6MAPTTYMSHPGD
SCHEMBL257947 0.81 DDAH1 (0.56) SMN1; SMN2GRM5MAPTICAM1SELE
SCHEMBL8361638 0.81 LMNA (0.45) SMN1; SMN2CYP2A6TYMSNPC1RAB9A
SCHEMBL17233525 0.78 MEN1 (0.55) CYP2A6MAPTMEN1KMT2ANPC1
SCHEMBL10710202 0.78 ACHE (0.52) SMN1; SMN2GRM5MAPTNPSR1ACHE
SCHEMBL23087642 0.77 PRMT5 (0.43) SMN1; SMN2GRM5MAPTICAM1SELE
SCHEMBL19846086 0.76 ALDH1A1 (0.46) CYP2A6MAPTTYMSKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 — — US disclosed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 — — US disclosed
US-20080300281-A1 Inhibition of p38 Kinase Activity Using Aryl and Heteroaryl Substituted Heterocyclic Ureas DUMAS JACQUES 2008-12-04 — — US disclosed
US-20080300281-A1 Inhibition of p38 Kinase Activity Using Aryl and Heteroaryl Substituted Heterocyclic Ureas DUMAS JACQUES 2008-12-04 — — US disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 — — US disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 — — 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-20080300281-A1 Inhibition of p38 Kinase Activity Using Aryl and Heteroaryl Substituted Heterocyclic Ureas MAPK1, MAP3K1, MAP3K2 SMN1; SMN2 3553/4885GRM5 4325/4885CYP2A6 1804/4885
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF SMN1; SMN2 4560/4885GRM5 4732/4885CYP2A6 4570/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF SMN1; SMN2 4560/4885GRM5 4732/4885CYP2A6 4570/4885

“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.

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