SCHEMBL4426259

SCHEMBL4426259

Oc1nc(C(F)(F)F)nc2ccc(Cl)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 6/20 0.47
CCNE1 P24864 6/20 0.47
CDK2 P24941 6/20 0.47
CDK4 P11802 4/20 0.44
CCND1 P24385 4/20 0.44
DHODH Q02127 3/20 0.39
CCNA2 P20248 1/20 0.39
CCNA1 P78396 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 2/20 0.38
ADORA2A P29274 1/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CASP7 P55210 1/20 0.38
HIF1A Q16665 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL8070450 0.87 POLB (0.41) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL30297757 0.83 CCNE2 (0.49) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL4422780 0.83 CCNE2 (0.49) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL9998169 0.81 CDK2 (0.57) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL30540330 0.81 CDK2 (0.57) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL14190005 0.80 CCNE2 (0.50) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL1882215 0.77 ALDH1A1 (0.42) DHODHALDH1A1HSD17B10PTGESALOX5
SCHEMBL8361293 0.77 ALDH1A1 (0.42) ALDH1A1HSD17B10PTGESALOX5CYP2C9
SCHEMBL31283944 0.76 HPGD (0.51) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL8070893 0.76 CDK2 (0.45) CCNE2CCNE1CDK2CDK4CCND1

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
EP-1606255-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2009-11-11 EP disclosed
EP-2098508-A1 Cyclic derivatives as modulators of chemokine receptor activity Bristol-Myers Squibb Company (US) 2009-09-09 EP disclosed
US-20080114052-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2008-05-15 US disclosed
US-7338947-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB CO. (US) 2008-03-04 US disclosed
US-7183270-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-27 US disclosed
US-20070032541-A1 Cyclic derivatives as modulators of chemokine receptor activity CHERNEY ROBERT J 2007-02-08 US disclosed
EP-1606255-A4 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2007-02-07 EP disclosed
EP-1606255-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2005-12-21 EP disclosed
US-20040186140-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-09-23 US disclosed
WO-2004071460-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-26 WO 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 (3 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-20080114052-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 CCNE2 3521/4885CCNE1 2636/4885CDK2 3132/4885
US-20040186140-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 CCNE2 3629/4885CCNE1 2444/4885CDK2 3240/4885
US-20070032541-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 CCNE2 3521/4885CCNE1 2636/4885CDK2 3132/4885

“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.