SCHEMBL3577203

SCHEMBL3577203

CC(C)NC(=O)[C@H]1CCC[C@H]1Nc1nc(Cl)ncc1Cl

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.48
AURKB Q96GD4 3/20 0.48
INSR P06213 5/20 0.38
ALK Q9UM73 5/20 0.38
KMT2A Q03164 1/20 0.35
MAPK3 P27361 2/20 0.35
STK17B O94768 1/20 0.34
STK17A Q9UEE5 1/20 0.34
LRRK2 Q5S007 1/20 0.34
SYK P43405 1/20 0.33
BRD4 O60885 1/20 0.32
AXL P30530 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CDK7 P50613 1/20 0.32
CDK9 P50750 1/20 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
SCHEMBL4289850 0.89 KDR (0.38) KDRAURKBINSRALKKMT2A
SCHEMBL3566624 0.88 AURKB (0.38) KDRAURKBINSRALKKMT2A
SCHEMBL3575430 0.88 KMT2A (0.50) KDRAURKBKMT2ABRD4AXL
SCHEMBL2061836 0.88 KDR (0.49) KDRAURKBINSRALKKMT2A
SCHEMBL2061833 0.88 KDR (0.49) KDRAURKBINSRALKKMT2A
SCHEMBL2061834 0.88 KDR (0.49) KDRAURKBINSRALKKMT2A
SCHEMBL3581697 0.85 ULK1 (0.41) KDRAURKBKMT2AMAPK3
SCHEMBL2061162 0.85 KDR (0.49) KDRAURKBINSRALKKMT2A
SCHEMBL2061160 0.85 KDR (0.49) KDRAURKBINSRALKKMT2A
SCHEMBL2061164 0.85 KDR (0.49) KDRAURKBINSRALKKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623887-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-07 US disclosed
US-8623887-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-07 US disclosed
US-8623887-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-07 US disclosed
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
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
US-20090163467-A1 New compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
US-20090163467-A1 New compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
US-20090163467-A1 New compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 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 (2 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 1956/4885INSR 122/4885
US-20090163467-A1 New compounds CCNA1, MKI67, CCNT1 KDR 1793/4885AURKB 1454/4885INSR 233/4885

“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.