SCHEMBL4025352

SCHEMBL4025352

CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.60
CSNK1D P48730 1/20 0.60
RPS6KA3 P51812 1/20 0.60
MAPK14 Q16539 10/20 0.60
MAPK11 Q15759 9/20 0.60
MAPK13 O15264 8/20 0.60
MAPK12 P53778 8/20 0.60
RAF1 P04049 3/20 0.60
MAPK9 P45984 3/20 0.60
KCNH2 Q12809 1/20 0.49
GPR119 Q8TDV5 2/20 0.48
BRAF P15056 1/20 0.47
ALOX5 P09917 1/20 0.46
GCGR P47871 1/20 0.46
HPGDS O60760 1/20 0.45

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
SCHEMBL4584849 1.00 CSNK1A1 (0.60) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK11
SCHEMBL4028406 0.90 MAPK14 (0.59) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK11
SCHEMBL8551836 0.88 CSNK1A1 (0.46) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK11
SCHEMBL8638666 0.88 CSNK1A1 (0.61) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK11
SCHEMBL4033802 0.87 CSNK1A1 (0.58) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK11
SCHEMBL4025214 0.86 CSNK1A1 (0.67) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK11
SCHEMBL4025331 0.86 CSNK1A1 (0.67) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK11
SCHEMBL4026671 0.85 MAPK11 (0.68) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK11
SCHEMBL3099823 0.84 HTT (0.59) GPR119HPGDS
SCHEMBL27538196 0.84 MAPK14 (0.47) CSNK1A1CSNK1DRPS6KA3MAPK14GPR119

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 19 patents. 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
CN-1117082-C Substituted imidazoles having anti-cancer and cytokine inhibitory activity MERCK & CO INC (US) 2003-08-06 CN claimed
EP-0906099-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2001-02-07 EP claimed
EP-0906099-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-04-07 EP claimed
CN-1203590-A Substituted imidazoles having anti-cancer and cytokine inhibitory activity MERCK & CO INC (US) 1998-12-30 CN claimed
WO-1997036587-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-10-09 WO claimed
WO-1997012876-A9 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY 1997-09-18 WO claimed
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
CN-1117082-C Substituted imidazoles having anti-cancer and cytokine inhibitory activity MERCK & CO INC (US) 2003-08-06 CN disclosed
US-6083949-A FOR TREATING CANCER IN WHICH RAF KINASE IS IMPLICATED, AS WELL AS COMPOUNDS WHICH INHIBIT, SUPPRESS OR ANTAGONIZE THE PRODUCTION OR ACTIVITY OF CYTOKINES SUCH AS INTERLEUKINS AND TUMOR NECROSIS FACTOR MERCK & CO., INC. (US) 2000-07-04 US disclosed
EP-0934270-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-08-11 EP disclosed
EP-0854870-A4 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 1999-01-07 EP disclosed
CN-1203590-A Substituted imidazoles having anti-cancer and cytokine inhibitory activity MERCK & CO INC (US) 1998-12-30 CN disclosed
EP-0854870-A1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY Merck & Co., Inc. (US) 1998-07-29 EP disclosed
WO-1997045412-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-12-04 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

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.