SCHEMBL3029458

SCHEMBL3029458

N#CCc1cccc(Nc2nc(Cl)nc3[nH]ccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 5/20 0.44
TTBK2 Q6IQ55 5/20 0.44
EGFR P00533 2/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
INCENP Q9NQS7 1/20 0.39
ACP1 P24666 1/20 0.39
BTK Q06187 1/20 0.39
PAK4 O96013 3/20 0.39
PIK3CA P42336 1/20 0.37
PIK3CG P48736 1/20 0.37
JAK1 P23458 1/20 0.36
ABCB1 P08183 1/20 0.35
ABCC1 P33527 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35

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
SCHEMBL13213035 0.87 PAK4 (0.48) TTBK1TTBK2EGFRAURKAAURKB
SCHEMBL3030226 0.85 PIK3CG (0.46) TTBK1TTBK2EGFRAURKBPIK3CA
SCHEMBL3032817 0.81 BRAF (0.39) ACP1JAK1
SCHEMBL3029601 0.80 PTK2 (0.42) ACP1
SCHEMBL13213029 0.79 AXL (0.44) ACP1JAK1
SCHEMBL3029507 0.79 PDK1 (0.43)
SCHEMBL13213027 0.77 TTBK1 (0.58) TTBK1TTBK2EGFRAURKBINCENP
SCHEMBL29426202 0.77 TTBK1 (0.58) TTBK1TTBK2EGFRAURKBINCENP
SCHEMBL2062260 0.76 BCL6 (0.42) EGFRACP1JAK1
SCHEMBL20119696 0.75 TTBK1 (0.51) TTBK1TTBK2EGFRAURKBABCB1

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
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
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 TTBK1 391/4885TTBK2 475/4885EGFR 83/4885

“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.