SCHEMBL2385630

SCHEMBL2385630

Cc1cc(C)cc(NC(=O)N2CCN(c3nsnc3OCc3ccncc3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PDGFRB P09619 3/20 0.46
PDGFRA P16234 1/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
P2RY12 Q9H244 1/20 0.43
TRPV1 Q8NER1 2/20 0.42
GOT1 P17174 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LIMK2 P53671 1/20 0.41

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
SCHEMBL2383147 0.86 MEN1 (0.45) ALDH1A1MEN1KMT2APDGFRBPDGFRA
SCHEMBL2382772 0.86 TRPV1 (0.49) PDGFRBHSD17B10TRPV1
SCHEMBL2382793 0.85 PANK3 (0.54) PDGFRBPDGFRAP2RY12TRPV1
SCHEMBL2385551 0.85 TRPV1 (0.51) ALDH1A1MEN1KMT2APDGFRBPDGFRA
SCHEMBL2385110 0.85 MAPT (0.52) ALDH1A1MEN1KMT2APDGFRBPDGFRA
SCHEMBL2386175 0.83 TRPV1 (0.47) ALDH1A1TRPV1KDM4EMAPT
SCHEMBL2384560 0.83 TRPV1 (0.53) MEN1KMT2ALMNAMAPK1HSD17B10
SCHEMBL2384718 0.81 CDK1 (0.55) ALDH1A1LMNAHSD17B10TRPV1MAPT
SCHEMBL5572377 0.81 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ALMNAPOLB
SCHEMBL2384936 0.80 TRPV1 (0.50) MEN1KMT2ALMNAMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US claimed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 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-20070275952-A1 Tie-2 Modulators and Methods of Use TIE1, TEK, KDR ALDH1A1 3053/4885MEN1 1132/4885KMT2A 682/4885

“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.