SCHEMBL13708949

SCHEMBL13708949

Cc1nc(C(F)(F)F)nc2cc(C(C)(C)C)sc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.39
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PRKCI P41743 3/20 0.34
▸ CCNE2 O96020 7/20 0.33
▸ CCNE1 P24864 7/20 0.33
▸ CDK2 P24941 7/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CCNA1 P78396 1/20 0.33
▸ CDK4 P11802 5/20 0.32
▸ CCND1 P24385 5/20 0.32
▸ LMNA P02545 1/20 0.31
▸ ERCC5 P28715 1/20 0.31
▸ FEN1 P39748 1/20 0.31
▸ NMT1 P30419 1/20 0.31
▸ HTT P42858 1/20 0.30
▸ ADORA2A P29274 1/20 0.30
▸ ADORA1 P30542 1/20 0.30

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
SCHEMBL4417631 0.83 PDPK1 (0.38) PDPK1MEN1KMT2APRKCICCNE2
SCHEMBL4421206 0.83 PDPK1 (0.38) PDPK1MEN1KMT2APRKCICCNE2
SCHEMBL12105218 0.80 PDPK1 (0.42) PDPK1MEN1KMT2APRKCIERCC5
SCHEMBL12910020 0.69 MEN1 (0.56) PDPK1MEN1KMT2APRKCIERCC5
SCHEMBL13606984 0.68 HTT (0.32) KMT2ACCNE2CCNE1CDK2CDK4
SCHEMBL164810 0.65 PRKCI (0.33) PDPK1PRKCI
SCHEMBL24121973 0.65 — —
SCHEMBL16922285 0.62 MAPT (0.48) MEN1KMT2ACCNE2CCNE1CDK2
SCHEMBL14817557 0.61 PDPK1 (0.49) PDPK1MEN1KMT2APRKCIERCC5
SCHEMBL25086385 0.61 PDPK1 (0.38) PDPK1MEN1KMT2AADORA2AADORA1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 PDPK1 3112/4885MEN1 2955/4885KMT2A 4636/4885
US-20070032541-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 PDPK1 3112/4885MEN1 2955/4885KMT2A 4636/4885

“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.

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