SCHEMBL13313554

SCHEMBL13313554

CC(C)NC(=O)[C@H]1CCC[C@H]1Nc1nc(Nc2ccc(N[C@H]3CCN(CCF)C3)cc2)ncc1Cl

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.49
AURKB Q96GD4 3/20 0.49
ALK Q9UM73 13/20 0.44
INSR P06213 10/20 0.44
SYK P43405 2/20 0.42
AXL P30530 1/20 0.41
AURKA O14965 1/20 0.40

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
SCHEMBL13313561 0.87 BCL6 (0.42) KDRAURKBALKINSRAURKA
SCHEMBL13313552 0.84 TBK1 (0.43) AURKBALKAURKA
SCHEMBL13313556 0.82 PTK2 (0.52) ALKAURKA
SCHEMBL13313558 0.81 ALK (0.49) KDRAURKBALKINSR
SCHEMBL13313559 0.81 KDR (0.50) KDRAURKBALKINSRSYK
SCHEMBL13313557 0.81 AURKB (0.44) KDRAURKBALKINSRSYK
SCHEMBL13313550 0.80 EGFR (0.47) SYKAURKA
SCHEMBL4281514 0.80 AURKB (0.54) KDRAURKBALKINSRSYK
SCHEMBL578664 0.80 AURKB (0.54) KDRAURKBALKINSRSYK
SCHEMBL3577176 0.80 AURKB (0.42) KDRAURKBSYKAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144706-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-10 US disclosed
US-20100144706-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-10 US 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-20100144706-A1 Compounds MKI67, CCNA1, CCNT1 KDR 2478/4885AURKB 1956/4885ALK 3648/4885

“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.