SCHEMBL2385169

SCHEMBL2385169

Nc1nccc(COc2nccnc2N2CCN(C(=O)Nc3cc(C(F)(F)F)ccc3F)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.43
RBP4 P02753 2/20 0.40
KDM4E B2RXH2 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 1/20 0.40
KIT P10721 1/20 0.39
AOC3 Q16853 1/20 0.39
BRAF P15056 2/20 0.39
CSNK1E P49674 1/20 0.39
MAPK1 P28482 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
SCHEMBL4562325 0.93 TRPV1 (0.40) TRPV1RBP4NPSR1MAPK1
SCHEMBL2384209 0.90 TRPV1 (0.40) TRPV1RBP4KDM4ENPSR1KIT
SCHEMBL2385822 0.89 TRPV1 (0.46) TRPV1RBP4KDM4ENPSR1
SCHEMBL2386446 0.87 ALDH1A1 (0.38) TRPV1RBP4NPSR1MAPTKIT
SCHEMBL2385038 0.87 TRPV1 (0.48) TRPV1KDM4ENPSR1MAPTKIT
SCHEMBL2383249 0.86 TRPV1 (0.55) TRPV1KDM4ENPSR1MAPTKIT
SCHEMBL2385265 0.85 TRPV1 (0.45) TRPV1KDM4ENPSR1MAPTKIT
SCHEMBL2383530 0.85 MAPT (0.45) TRPV1RBP4KDM4ENPSR1MAPT
SCHEMBL2384448 0.85 TRPV1 (0.46) TRPV1KDM4ENPSR1MAPTKIT
SCHEMBL2733022 0.82 TRPV1 (0.45) TRPV1RBP4KDM4ENPSR1MAPK1

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 4108/4885RBP4 2966/4885KDM4E 486/4885

“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.