SCHEMBL3575430

SCHEMBL3575430

CC(C)NC(=O)[C@H]1CCC[C@H]1Nc1nc(Cl)ncc1F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
KDR P35968 3/20 0.38
AURKB Q96GD4 3/20 0.38
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AURKA O14965 1/20 0.33
BRD4 O60885 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
AXL P30530 1/20 0.31
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
ACACB O00763 1/20 0.31

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
SCHEMBL3577203 0.88 KDR (0.48) KMT2AKDRAURKBGAAHPGD
SCHEMBL4289850 0.87 KDR (0.38) KMT2AKDRAURKBGAAHPGD
SCHEMBL3566624 0.86 AURKB (0.38) KMT2AKDRAURKBGAAHPGD
SCHEMBL12565029 0.86 KMT2A (0.54) KMT2AKDRAURKBALDH1A1L3MBTL1
SCHEMBL12565045 0.86 KMT2A (0.54) KMT2AKDRAURKBALDH1A1L3MBTL1
SCHEMBL3581697 0.86 ULK1 (0.41) KMT2AKDRAURKB
SCHEMBL12565021 0.84 KMT2A (0.56) KMT2AKDRAURKBALDH1A1L3MBTL1
SCHEMBL3579834 0.84 KMT2A (0.56) KMT2AKDRAURKBALDH1A1L3MBTL1
SCHEMBL12565014 0.83 KMT2A (0.54) KMT2AKDRAURKBALDH1A1L3MBTL1
SCHEMBL12565020 0.83 KMT2A (0.54) KMT2AKDRAURKBALDH1A1L3MBTL1

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
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

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 KMT2A 3248/4885KDR 2478/4885AURKB 1956/4885

“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.