SCHEMBL4422780

SCHEMBL4422780

FC(F)(F)c1nc(Cl)c2cc(Cl)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 6/20 0.49
CCNE1 P24864 6/20 0.49
CDK2 P24941 6/20 0.49
CCNA2 P20248 1/20 0.41
CCNA1 P78396 1/20 0.41
CDK4 P11802 4/20 0.40
CCND1 P24385 4/20 0.40
KDM4E B2RXH2 3/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.39
NT5E P21589 1/20 0.39
HTT P42858 1/20 0.38
DHODH Q02127 1/20 0.37

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
SCHEMBL30297757 1.00 CCNE2 (0.49) CCNE2CCNE1CDK2CCNA2CCNA1
SCHEMBL8073916 0.86 POLB (0.43) CCNE2CCNE1CDK2CCNA2CCNA1
SCHEMBL9998118 0.84 CDK2 (0.57) CCNE2CCNE1CDK2CCNA2CCNA1
SCHEMBL30540343 0.84 CDK2 (0.57) CCNE2CCNE1CDK2CCNA2CCNA1
SCHEMBL4426259 0.83 CCNE2 (0.47) CCNE2CCNE1CDK2CCNA2CCNA1
SCHEMBL7436724 0.83 CDK2 (0.41) CCNE2CCNE1CDK2CCNA2CCNA1
SCHEMBL27138975 0.83 LMNA (0.49) CCNE2CCNE1CDK2CCNA2CCNA1
SCHEMBL14190005 0.83 CCNE2 (0.50) CCNE2CCNE1CDK2CCNA2CCNA1
SCHEMBL6372133 0.79 CCNE2 (0.39) CCNE2CCNE1CDK2CCNA2CCNA1
SCHEMBL8073927 0.79 CDK2 (0.41) CCNE2CCNE1CDK2CCNA2CCNA1

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 12 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
WO-2007042669-A2 DERIVATIVES OF 4-AMINO-QUINAZOLINE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFIS-AVENTIS (FR) 2007-04-19 WO disclosed
WO-2007042669-A2 DERIVATIVES OF 4-AMINO-QUINAZOLINE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFIS-AVENTIS (FR) 2007-04-19 WO 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.