SCHEMBL4024836

SCHEMBL4024836

CN1CCC(c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 2/20 0.74
CSNK1D P48730 2/20 0.74
RPS6KA3 P51812 1/20 0.74
MAPK14 Q16539 7/20 0.74
MAPK11 Q15759 6/20 0.74
MAPK13 O15264 5/20 0.74
MAPK12 P53778 5/20 0.74
MAPK9 P45984 4/20 0.74
RAF1 P04049 3/20 0.74
ALOX5 P09917 1/20 0.60
PRKD3 O94806 1/20 0.53
MAP4K4 O95819 1/20 0.53
FRK P42685 1/20 0.53
GCGR P47871 1/20 0.53
GSK3B P49841 1/20 0.53
PTK6 Q13882 1/20 0.53
PRKD2 Q9BZL6 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
BRAF P15056 1/20 0.52

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
SCHEMBL1387706 0.89 CSNK1D (0.88) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK11
SCHEMBL14174354 0.88 MAPK13 (0.74) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK11
SCHEMBL4026775 0.87 CSNK1A1 (0.70) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK11
SCHEMBL4028779 0.86 MAPK14 (0.71) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK11
SCHEMBL19868972 0.86 MAPK14 (0.97) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK11
SCHEMBL4025214 0.85 CSNK1A1 (0.67) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK11
SCHEMBL4025331 0.85 CSNK1A1 (0.67) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK11
SCHEMBL1387716 0.85 MAPK14 (0.69) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK11
SCHEMBL19869014 0.85 MAPK14 (1.00) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK11
SCHEMBL4026671 0.84 MAPK11 (0.68) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK11

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0854870-B1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 2009-06-10 EP claimed
US-20080139596-A1 Modulators of Hcv Replication ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-06-12 US claimed
EP-1784189-A1 MODULATORS OF HCV REPLICATION ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-05-16 EP claimed
WO-2006021449-A1 MODULATORS OF HCV REPLICATION ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-03-02 WO claimed
EP-0854870-A4 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 1999-01-07 EP claimed
EP-0854870-A1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY Merck & Co., Inc. (US) 1998-07-29 EP claimed
WO-1997012876-A9 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY 1997-09-18 WO claimed
WO-1997012876-A1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO., INC. (US) 1997-04-10 WO claimed
EP-0854870-B1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 2009-06-10 EP disclosed
EP-0854870-B1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 2009-06-10 EP disclosed
US-20080139596-A1 Modulators of Hcv Replication ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-06-12 US disclosed
US-20080139596-A1 Modulators of Hcv Replication ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-06-12 US disclosed
US-20080139596-A1 Modulators of Hcv Replication ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-06-12 US disclosed
EP-1784189-A1 MODULATORS OF HCV REPLICATION ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-05-16 EP disclosed
WO-1997045412-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-12-04 WO disclosed
WO-1997036587-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-10-09 WO disclosed
WO-1997012876-A9 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY 1997-09-18 WO disclosed
WO-1997012876-A1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO., INC. (US) 1997-04-10 WO disclosed
EP-0757558-A1 SCREENING METHODS FOR INTEGUMENTAL INFLAMMATION MODULATING AGENTS ALZA CORPORATION (US) 1997-02-12 EP disclosed
WO-1995027510-A1 SCREENING METHODS FOR INTEGUMENTAL INFLAMMATION MODULATING AGENTS ALZA CORPORATION (US) 1995-10-19 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 (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-20080139596-A1 Modulators of Hcv Replication EIF2AK2, MAVS, IRF3 CSNK1A1 1939/4885CSNK1D 2168/4885RPS6KA3 302/4885

“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.