SCHEMBL3029522

SCHEMBL3029522

N#CCc1cccc(-c2nc(Cl)nc3sccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.41
PAK1 Q13153 8/20 0.36
KDM5B Q9UGL1 1/20 0.36
PIK3CD O00329 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
HCK P08631 1/20 0.35
SRC P12931 1/20 0.35
KDR P35968 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
MTOR P42345 1/20 0.35
PIK3CG P48736 1/20 0.35
EPHB4 P54760 1/20 0.35
PRKDC P78527 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
TNIK Q9UKE5 1/20 0.35
CDK2 P24941 1/20 0.35
GSK3B P49841 1/20 0.35
ENPP2 Q13822 1/20 0.34

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
SCHEMBL13257359 0.84 PNMT (0.38) CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL17464083 0.78 DHODH (0.44) CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL21437718 0.77 ESR1 (0.39) CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3029507 0.76 PDK1 (0.43) MMP3PAK1KDM5BCDK2GSK3B
SCHEMBL16613449 0.75 ALDH1A1 (0.52) CYP2D6CYP2C19
SCHEMBL23599704 0.75 CNR2 (0.41)
SCHEMBL16613467 0.73 ALDH1A1 (0.49) CYP1A2CYP2D6CYP2C19
SCHEMBL21439519 0.71 GLS (0.43) CYP1A2CYP2D6CYP2C9
SCHEMBL3011582 0.68 AXL (0.54) MMP3PAK1KDM5BPIK3CDABL1
SCHEMBL3028848 0.68 KDM5B (0.41) MMP3PAK1KDM5BPIK3CDABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393814-A1 PYRROLOPYRIMIDINYL AXL KINASE INHIBITORS SuperGen, Inc. (US) 2011-12-14 EP disclosed
US-20100204221-A1 Pyrrolopyrimidinyl axl kinase inhibitors TOLERO PHARMACEUTICALS, INC. 2010-08-12 US disclosed
US-20100204221-A1 Pyrrolopyrimidinyl axl kinase inhibitors TOLERO PHARMACEUTICALS, INC. 2010-08-12 US disclosed
US-20100204221-A1 Pyrrolopyrimidinyl axl kinase inhibitors TOLERO PHARMACEUTICALS, INC. 2010-08-12 US disclosed
WO-2010090764-A1 PYRROLOPYRIMIDINYL AXL KINASE INHIBITORS SUPERGEN, INC. (US) 2010-08-12 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-20100204221-A1 Pyrrolopyrimidinyl axl kinase inhibitors AXL, FLT3, TYRO3 MMP3 4489/4885PAK1 22/4885KDM5B 2617/4885

“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.