SCHEMBL3580218

SCHEMBL3580218

O=C(O)[C@H]1CCC[C@H]1Nc1nc(Cl)ncc1Br

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 3/20 0.39
KDR P35968 2/20 0.39
DGAT1 O75907 1/20 0.38
KCNH2 Q12809 1/20 0.38
KMT2A Q03164 2/20 0.37
SELP P16109 1/20 0.35
TYRO3 Q06418 1/20 0.35
PTGES O14684 1/20 0.34
MEN1 O00255 1/20 0.33
AURKA O14965 1/20 0.33
PDE5A O76074 2/20 0.33
CFD P00746 1/20 0.33
ABL1 P00519 4/20 0.33
BCR P11274 4/20 0.33
GRM4 Q14833 1/20 0.33
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
HCRTR1 O43613 2/20 0.32

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
SCHEMBL16057604 0.88 KMT2A (0.38) AURKBKDRKMT2ASELPTYRO3
SCHEMBL3564725 0.87 KDR (0.49) AURKBKDRDGAT1KCNH2KMT2A
SCHEMBL3574419 0.86 AURKB (0.39) AURKBKDRKMT2ASELPTYRO3
SCHEMBL12565021 0.85 KMT2A (0.56) AURKBKDRDGAT1KCNH2KMT2A
SCHEMBL3579834 0.85 KMT2A (0.56) AURKBKDRDGAT1KCNH2KMT2A
SCHEMBL3566624 0.84 AURKB (0.38) AURKBKDRKMT2ASELPTYRO3
SCHEMBL3566625 0.83 GRM4 (0.43) AURKBKDRKMT2ASELPTYRO3
SCHEMBL22501580 0.81 SELP (0.43) KMT2ASELPTYRO3MEN1
SCHEMBL29437412 0.79 STK17B (0.43) KMT2AABL1BCRHCRTR1
SCHEMBL4549835 0.79 STK17B (0.43) KMT2AABL1BCRHCRTR1

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
EP-2109605-B1 2- [(PHENYLAMINO) -PYRIMIDIN-4YLAMIN0] -CYCLOPENTANE CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF KINASES OF THE CELL CYCLE FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2013-02-20 EP 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 AURKB 1956/4885KDR 2478/4885DGAT1 3535/4885

“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.