SCHEMBL4394098

SCHEMBL4394098

Nc1ccc(Sc2nc(Cl)cc(Cl)n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.65
CYP3A4 P08684 3/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
PDE7A Q13946 5/20 0.50
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
KDM1A O60341 1/20 0.42
PDE7B Q9NP56 1/20 0.39
HTT P42858 1/20 0.38
KDM4E B2RXH2 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
HPGD P15428 1/20 0.38
ANXA2 P07355 1/20 0.37
S100A10 P60903 1/20 0.37
DHFR P00374 1/20 0.37

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
SCHEMBL31165423 0.83 MAPT (0.70) MAPTCYP3A4TSHRMAPK1PDE7A
SCHEMBL8384783 0.82 MAPT (0.44) MAPTCYP3A4MAPK1MEN1KMT2A
SCHEMBL12102886 0.81 CXCL12 (0.46) MAPTCYP3A4MEN1KMT2ASMN1; SMN2
SCHEMBL2989224 0.80 MAPT (0.43) MAPTCYP3A4PDE7AMEN1KMT2A
SCHEMBL12935505 0.79 MAPT (1.00) MAPTCYP3A4TSHRMAPK1PDE7A
SCHEMBL10560991 0.77 TSHR (0.54) MAPTCYP3A4TSHRMAPK1PDE7A
SCHEMBL10522332 0.76 CYP3A4 (0.48) MAPTCYP3A4TSHRMAPK1PDE7A
SCHEMBL4394095 0.76 CHEK2 (0.45) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL829690 0.72 KDM1A (0.59) MAPTCYP3A4TSHRMAPK1PDE7A
SCHEMBL1532386 0.72 SIRT2 (0.45) MAPTCYP3A4MEN1KMT2ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130066069-A1 PROCESSES FOR PREPARING SUBSTITUTED PYRIMIDINES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-14 US disclosed
US-20090298844-A1 ABL KINASE INHIBITION VERTEX PHARMACEUTICALS INCORPORATED 2009-12-03 US disclosed
WO-2007136615-A2 COMBINATION CANCER THERAPY MERCK & CO., INC. (US) 2007-11-29 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 (2 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-20090298844-A1 ABL KINASE INHIBITION ABL2, ABL1, PRKDC MAPT 2896/4885CYP3A4 4276/4885TSHR 3282/4885
US-20130066069-A1 PROCESSES FOR PREPARING SUBSTITUTED PYRIMIDINES AURKA, AURKC, AURKB MAPT 982/4885CYP3A4 2192/4885TSHR 3178/4885

“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.