SCHEMBL3581703

SCHEMBL3581703

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.43
MAPK3 P27361 4/20 0.43
PTK2 Q05397 9/20 0.42
PTK2B Q14289 6/20 0.41
ULK1 O75385 2/20 0.40
KCNH2 Q12809 1/20 0.37
KDR P35968 3/20 0.35
AURKB Q96GD4 2/20 0.35
CDC7 O00311 1/20 0.35
PLK4 O00444 1/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
DCLK1 O15075 1/20 0.35
MAPK13 O15264 1/20 0.35
PDPK1 O15530 1/20 0.35
DAPK3 O43293 1/20 0.35
DYRK3 O43781 1/20 0.35
JAK2 O60674 1/20 0.35
ROCK2 O75116 1/20 0.35
PRKD3 O94806 1/20 0.35

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
SCHEMBL3577207 0.86 KDR (0.46) GRM4MAPK3KDRAURKBINSR
SCHEMBL3581697 0.85 ULK1 (0.41) MAPK3PTK2PTK2BULK1KCNH2
SCHEMBL4289855 0.85 GRM4 (0.44) GRM4KDRAURKBSYKSTK17A
SCHEMBL3566625 0.84 GRM4 (0.43) GRM4KDRAURKBAURKAPDPK1
SCHEMBL12234913 0.83 KDR (0.47) MAPK3PTK2PTK2BULK1KCNH2
SCHEMBL3566465 0.81 PTK2 (0.57) PTK2PTK2BULK1KCNH2KDR
SCHEMBL2061833 0.72 KDR (0.49) GRM4MAPK3KDRAURKBINSR
SCHEMBL2061836 0.72 KDR (0.49) GRM4MAPK3KDRAURKBINSR
SCHEMBL2061834 0.72 KDR (0.49) GRM4MAPK3KDRAURKBINSR
SCHEMBL1430502 0.72 ULK1 (0.71) PTK2BULK1

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 GRM4 2671/4885MAPK3 2441/4885PTK2 1486/4885

“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.