SCHEMBL4383956

SCHEMBL4383956

CC(NC(=O)c1csc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)n1)c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.46
ALDH1A1 P00352 3/20 0.44
GPR139 Q6DWJ6 5/20 0.41
ENPP2 Q13822 1/20 0.41
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4389979 0.92 PDE2A (0.49) PDE2AALDH1A1GPR139ENPP2
SCHEMBL5668567 0.92 PDE2A (0.47) PDE2AALDH1A1GPR139
SCHEMBL5668017 0.86 ALDH1A1 (0.44) PDE2AALDH1A1KMT2ASMN1; SMN2
SCHEMBL4383435 0.84 ALDH1A1 (0.42) PDE2AALDH1A1KMT2ASMN1; SMN2
SCHEMBL4394123 0.84 ALDH1A1 (0.41) PDE2AALDH1A1KMT2ASMN1; SMN2
SCHEMBL4390778 0.83 ALDH1A1 (0.42) PDE2AALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL4392327 0.83 HDAC3 (0.42) PDE2AALDH1A1GPR139KMT2A
SCHEMBL5670705 0.81 ALDH1A1 (0.40) PDE2AALDH1A1GPR139KMT2ASMN1; SMN2
SCHEMBL4387739 0.81 ALDH1A1 (0.42) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL2172250 0.81 MEN1 (0.45) ALDH1A1KMT2ASMN1; SMN2

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 1 patent. 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

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.