SCHEMBL3581697

SCHEMBL3581697

CC(C)NC(=O)[C@H]1CCC[C@H]1Nc1nc(Cl)ncc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 2/20 0.41
PTK2 Q05397 10/20 0.40
PTK2B Q14289 8/20 0.40
KCNH2 Q12809 1/20 0.38
MAPK3 P27361 3/20 0.38
KDR P35968 2/20 0.36
AURKB Q96GD4 2/20 0.36
KIT P10721 1/20 0.35
FLT3 P36888 1/20 0.35
KMT2A Q03164 1/20 0.34

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
SCHEMBL3575430 0.86 KMT2A (0.50) KDRAURKBKMT2A
SCHEMBL3577203 0.85 KDR (0.48) MAPK3KDRAURKBKMT2A
SCHEMBL3581703 0.85 GRM4 (0.43) ULK1PTK2PTK2BKCNH2MAPK3
SCHEMBL12234913 0.84 KDR (0.47) ULK1PTK2PTK2BKCNH2MAPK3
SCHEMBL4289850 0.84 KDR (0.38) MAPK3KDRAURKBKMT2A
SCHEMBL3566624 0.84 AURKB (0.38) KDRAURKBKMT2A
SCHEMBL12235598 0.80 ULK1 (0.60) ULK1PTK2PTK2BKCNH2KIT
SCHEMBL15328911 0.80 ULK1 (0.60) ULK1PTK2PTK2BKCNH2KIT
SCHEMBL14616066 0.80 ULK1 (0.60) ULK1PTK2PTK2BKCNH2KIT
SCHEMBL5576857 0.79 ULK1 (0.56) ULK1PTK2PTK2BKCNH2KIT

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 14 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
US-20130281429-A1 2,4-DIAMINO-PYRIMIDINES AS AURORA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-24 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-20110251174-A1 2,4-DIAMINO-PYRIMIDINES AS AURORA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-13 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-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
US-20070032514-A1 2,4-diamino-pyrimidines as aurora inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-08 US disclosed
US-20070032514-A1 2,4-diamino-pyrimidines as aurora inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-08 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 (5 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 ULK1 4072/4885PTK2 1486/4885PTK2B 2938/4885
US-20110251174-A1 2,4-DIAMINO-PYRIMIDINES AS AURORA INHIBITORS AURKA, AURKC, AURKB ULK1 1849/4885PTK2 835/4885PTK2B 390/4885
US-20070032514-A1 2,4-diamino-pyrimidines as aurora inhibitors AURKA, AURKC, AURKB ULK1 1849/4885PTK2 835/4885PTK2B 390/4885
US-20130281429-A1 2,4-DIAMINO-PYRIMIDINES AS AURORA INHIBITORS AURKA, AURKC, AURKB ULK1 1849/4885PTK2 835/4885PTK2B 390/4885
US-20090163467-A1 New compounds CCNA1, MKI67, CCNT1 ULK1 4398/4885PTK2 1550/4885PTK2B 2309/4885

“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.