SCHEMBL4210144

SCHEMBL4210144

CC(C)NC(=O)[C@H]1CCC[C@H]1Nc1nc(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2)ncc1Br

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.51
SYK P43405 4/20 0.49
CDK4 P11802 1/20 0.49
CCND1 P24385 1/20 0.49
CDK6 Q00534 1/20 0.49
TNK2 Q07912 1/20 0.48
EGFR P00533 9/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
BRD4 O60885 1/20 0.46
PLK1 P53350 1/20 0.45

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
SCHEMBL13313538 0.91 SYK (0.47) FGFR1SYKCDK4CCND1CDK6
SCHEMBL12235687 0.85 IGF1R (0.57) SYKCDK4CCND1CDK6PDGFRB
SCHEMBL3585653 0.83 SYK (0.49) FGFR1SYKCDK4CCND1TNK2
SCHEMBL3572092 0.83 FGFR1 (0.59) FGFR1SYKEGFRPLK1
SCHEMBL3571984 0.83 SYK (0.48) FGFR1SYKCDK4CCND1CDK6
SCHEMBL13313545 0.81 FGFR1 (0.59) FGFR1SYKEGFRPLK1
SCHEMBL13313555 0.81 AURKB (0.44) FGFR1SYKTNK2AURKAAURKB
SCHEMBL578929 0.80 AURKA (0.53) SYKAURKAAURKB
SCHEMBL578928 0.80 AURKA (0.53) SYKAURKAAURKB
SCHEMBL13313549 0.80 AURKB (0.48) SYKEGFRAURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130289014-A1 Combination therapy in treatment of oncological and fibrotic diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-31 US disclosed
US-20120107304-A1 Combination therapy in treatment of oncological and fibrotic diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
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 (3 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-20120107304-A1 Combination therapy in treatment of oncological and fibrotic diseases AURKB, AURKC, AURKA FGFR1 12/4885SYK 926/4885CDK4 39/4885
US-20100144706-A1 Compounds MKI67, CCNA1, CCNT1 FGFR1 268/4885SYK 2935/4885CDK4 34/4885
US-20130289014-A1 Combination therapy in treatment of oncological and fibrotic diseases AURKB, AURKC, AURKA FGFR1 12/4885SYK 926/4885CDK4 39/4885

“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.