SCHEMBL2365417

SCHEMBL2365417

N#Cc1cccc(-n2ccc(=O)c(Cc3cccc(N(CCN4CCS(O)(O)CC4)C(=O)O)c3)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.38
GRM5 P41594 1/20 0.34
DRD2 P14416 4/20 0.33
KCNH2 Q12809 2/20 0.33
KCNJ1 P48048 1/20 0.33
MCHR1 Q99705 4/20 0.32
DCUN1D1 Q96GG9 1/20 0.31
NOTUM Q6P988 1/20 0.31
DRD3 P35462 3/20 0.31
DRD4 P21917 2/20 0.31
USP30 Q70CQ3 2/20 0.31
CCR5 P51681 1/20 0.31

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
SCHEMBL2365418 0.94 CACNA2D1 (0.38) CACNA2D1GRM5DRD2KCNH2KCNJ1
SCHEMBL2223914 0.90 CACNA2D1 (0.40) CACNA2D1GRM5DRD2KCNH2KCNJ1
SCHEMBL13274529 0.86 SIGMAR1 (0.36)
SCHEMBL13275361 0.86 OPRM1 (0.32) CACNA2D1
SCHEMBL2268992 0.85 OPRM1 (0.32)
SCHEMBL2268510 0.85 CACNA2D1 (0.37) CACNA2D1GRM5NOTUMUSP30
SCHEMBL2220317 0.85 GRM5 (0.38) CACNA2D1GRM5NOTUMUSP30
SCHEMBL13275685 0.85 OPRM1 (0.33)
SCHEMBL13274671 0.83 GRM5 (0.39) CACNA2D1GRM5NOTUMUSP30
SCHEMBL2220491 0.83 CACNA2D1 (0.36) CACNA2D1GRM5DRD2KCNH2NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US claimed
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 CACNA2D1 4542/4885GRM5 1161/4885DRD2 4636/4885

“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.