SCHEMBL4554967

SCHEMBL4554967

Cc1csc(-c2nc(-c3ccc(F)cc3)c(-c3ccnc4ccccc34)[nH]2)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.62
ALOX5 P09917 2/20 0.61
EGFR P00533 6/20 0.50
MAPK13 O15264 2/20 0.49
GCGR P47871 2/20 0.49
MAPK12 P53778 2/20 0.49
MAPK11 Q15759 2/20 0.49
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL4553347 0.79 MAPK14 (0.76) MAPK14ALOX5EGFRMAPK13GCGR
SCHEMBL5078097 0.78 MAPK14 (0.45) MAPK14ALOX5MAPK13MAPK12MAPK11
SCHEMBL4554965 0.78 MAPK14 (0.77) MAPK14ALOX5EGFRMAPK13GCGR
SCHEMBL7209162 0.77 MAPK14 (0.55) MAPK14ALOX5MAPK13GCGRMAPK12
SCHEMBL4553285 0.76 ALOX5 (0.69) MAPK14ALOX5EGFRMAPK13GCGR
SCHEMBL4553295 0.76 MAPK13 (0.58) MAPK14ALOX5EGFRMAPK13GCGR
SCHEMBL4565935 0.76 ALOX5 (1.00) MAPK14ALOX5EGFRMAPK13GCGR
SCHEMBL4584932 0.76 MAPK14 (0.46) MAPK14ALOX5MAPK13GCGRMAPK12
SCHEMBL4586521 0.75 MAPK14 (0.51) MAPK14ALOX5EGFRMAPK13GCGR
SCHEMBL27422398 0.69 MAPK14 (0.63) MAPK14ALOX5EGFRMAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288089-B1 ADMINISTERING A COMPOSITION OF PYRIDYL IMIDAZOLE COMPOUNDS TO TREAT PARKINSON'S DISEASE, HUNTINGTON'S DISEASE, ALZHEIMER'S DISEASE, AND AMYOTOPHIC LATERAL SCLEROSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2001-09-11 US claimed
EP-1487436-A4 COMBINATION THERAPY FOR TREATING, PREVENTING OR MANAGING PROLIFERATIVE DISORDERS AND CANCERS SIGNAL PHARM INC (US) 2009-06-03 EP disclosed
US-7351729-B2 JNK inhibitors for use in combination therapy for treating or managing proliferative disorders and cancers SIGNAL PHARMACEUTICALS, LLC (US) 2008-04-01 US disclosed
US-20070149571-A1 Combination therapy for treating or managing acute myelocytic leukemia SIGNAL PHARMACEUTICALS, LLC 2007-06-28 US disclosed
EP-1487436-A1 COMBINATION THERAPY FOR TREATING, PREVENTING OR MANAGING PROLIFERATIVE DISORDERS AND CANCERS Signal Pharmaceuticals, Inc. (US) 2004-12-22 EP disclosed
EP-0623126-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-09-08 EP disclosed
US-20040067953-A1 Combination therapy for treating, preventing or managing proliferative disorders and cancers SIGNAL PHARMACEUTICALS, LLC 2004-04-08 US disclosed
US-6645989-B2 Antiinflammatory agents SMITHKLINE BEECHAM CORPORATION 2003-11-11 US disclosed
WO-2003075917-A1 COMBINATION THERAPY FOR TREATING, PREVENTING OR MANAGING PROLIFERATIVE DISORDERS AND CANCERS SIGNAL PHARMACEUTICALS, INC. (US) 2003-09-18 WO disclosed
US-20030064997-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION 2003-04-03 US disclosed
US-6288089-B1 ADMINISTERING A COMPOSITION OF PYRIDYL IMIDAZOLE COMPOUNDS TO TREAT PARKINSON'S DISEASE, HUNTINGTON'S DISEASE, ALZHEIMER'S DISEASE, AND AMYOTOPHIC LATERAL SCLEROSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2001-09-11 US disclosed
US-6268370-B1 CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION 2001-07-31 US disclosed
US-6235760-B1 CENTRAL NERVOUS SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS SMITHKLINE BEECHAM CORPORATION 2001-05-22 US disclosed
US-5916891-A CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1999-06-29 US disclosed
US-5686455-A Imidazole derivatives and their use as cytokine inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1997-11-11 US disclosed
US-5656644-A CYTOKINE SUPPRESSORS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-12 US disclosed
EP-0623126-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-11-09 EP disclosed
WO-1993014081-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-07-22 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-20070149571-A1 Combination therapy for treating or managing acute myelocytic leukemia MCL1, ATF1, MAP3K5 MAPK14 69/4885ALOX5 2131/4885EGFR 223/4885
US-20030064997-A1 Novel compounds BRD4, BRDT, HDAC6 MAPK14 3769/4885ALOX5 2555/4885EGFR 1530/4885
US-20040067953-A1 Combination therapy for treating, preventing or managing proliferative disorders and cancers MAP3K1, MAP3K2, MAP2K2 MAPK14 72/4885ALOX5 2726/4885EGFR 160/4885

“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.