SCHEMBL3028848

SCHEMBL3028848

Cc1[nH]c2nc(Cl)nc(-c3cccc(CC#N)c3)c2c1C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.41
PAK1 Q13153 11/20 0.39
MMP3 P08254 1/20 0.39
AXL P30530 2/20 0.38
PIK3CD O00329 1/20 0.38
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
HCK P08631 1/20 0.38
SRC P12931 1/20 0.38
KDR P35968 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
MTOR P42345 1/20 0.38
PIK3CG P48736 1/20 0.38
EPHB4 P54760 1/20 0.38
PRKDC P78527 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
TNIK Q9UKE5 1/20 0.37
ADORA2A P29274 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
SCHEMBL13257348 0.85 NOS3 (0.39) ABL1EGFRADORA2A
SCHEMBL3011582 0.82 AXL (0.54) KDM5BPAK1MMP3AXLPIK3CD
SCHEMBL3029507 0.75 PDK1 (0.43) KDM5BPAK1MMP3AXLADORA2A
SCHEMBL3023197 0.71 AXL (0.78) PAK1AXLTNIK
SCHEMBL3029522 0.68 MMP3 (0.41) KDM5BPAK1MMP3PIK3CDABL1
SCHEMBL13213029 0.65 AXL (0.44) AXL
SCHEMBL4006124 0.64 MMP3 (0.72) MMP3PIK3CDABL1EGFRHCK
SCHEMBL30504282 0.64 MMP3 (0.79) MMP3PIK3CDABL1EGFRHCK
SCHEMBL12318240 0.64 ADORA2A (0.50) KDM5BMMP3ADORA2A
SCHEMBL3023148 0.64 MMP3 (0.47) KDM5BMMP3PIK3CDABL1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102307875-A Pyrrolopyrimidinyl axl kinase inhibitors SUPERGEN INC 2012-01-04 CN disclosed
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 KDM5B 2617/4885PAK1 22/4885MMP3 4489/4885

“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.