SCHEMBL2385390

SCHEMBL2385390

Nc1nccc(COc2nsnc2N2CCN(C(=O)Nc3cc(Cl)cc(C(F)(F)F)c3)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.46
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NR2E1 Q9Y466 1/20 0.40
CNR2 P34972 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NAMPT P43490 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 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
SCHEMBL2384368 0.95 TRPV1 (0.45) TRPV1NPSR1MAPTNR2E1HSD17B10
SCHEMBL2385101 0.92 MEN1 (0.46) TRPV1MEN1KMT2ANPSR1MAPT
SCHEMBL2385933 0.92 TRPV1 (0.42) TRPV1NPSR1MAPTNR2E1HSD17B10
SCHEMBL2384448 0.90 TRPV1 (0.46) TRPV1NPSR1MAPTKDM4ENR2E1
SCHEMBL2382924 0.90 TRPV1 (0.53) TRPV1MEN1KMT2ANPSR1MAPT
SCHEMBL2385080 0.90 NR2E1 (0.42) TRPV1NPSR1MAPTNR2E1HSD17B10
SCHEMBL2383783 0.88 ALDH1A1 (0.43) TRPV1MAPTCNR2ALDH1A1POLB
SCHEMBL2383928 0.87 MEN1 (0.42) TRPV1MEN1KMT2AMAPT
SCHEMBL2385649 0.87 TRPV1 (0.47) TRPV1NPSR1HSD17B10
SCHEMBL2387040 0.87 TRPV1 (0.39) TRPV1MAPTCNR2NAMPTALDH1A1

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 TRPV1 4108/4885MEN1 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.