SCHEMBL4389979

SCHEMBL4389979

Cc1ccc([C@H](C)NC(=O)c2csc(CNC(=O)COc3ccc(OC(F)(F)F)cc3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.49
ALDH1A1 P00352 1/20 0.45
GPR139 Q6DWJ6 8/20 0.44
HPGD P15428 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
MAPT P10636 1/20 0.42
ENPP2 Q13822 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
SCHEMBL5668567 0.93 PDE2A (0.47) PDE2AALDH1A1GPR139
SCHEMBL4383956 0.92 PDE2A (0.46) PDE2AALDH1A1GPR139ENPP2
SCHEMBL5668017 0.87 ALDH1A1 (0.44) PDE2AALDH1A1HPGD
SCHEMBL4385832 0.86 CYP1A2 (0.52) PDE2AALDH1A1HPGDTRPM8MAPT
SCHEMBL4383435 0.85 ALDH1A1 (0.42) PDE2AALDH1A1
SCHEMBL4394123 0.85 ALDH1A1 (0.41) PDE2AALDH1A1HPGDTRPM8MAPT
SCHEMBL4390778 0.84 ALDH1A1 (0.42) PDE2AALDH1A1HPGDMAPT
SCHEMBL4392327 0.83 HDAC3 (0.42) PDE2AALDH1A1GPR139
SCHEMBL5670705 0.82 ALDH1A1 (0.40) PDE2AALDH1A1GPR139MAPT
SCHEMBL4387739 0.81 ALDH1A1 (0.42) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 US claimed
EP-1730128-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-12-13 EP claimed
WO-2005097765-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-10-20 WO claimed

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-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE ALK, BCL3, MCL1 PDE2A 1806/4885ALDH1A1 1466/4885GPR139 2494/4885

“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.