SCHEMBL5079652

SCHEMBL5079652

Cn1c(-c2ccc(C(=O)O)cc2)nc(-c2ccccc2)c1-c1ccncc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.59
CSNK1D P48730 4/20 0.59
PTGER1 P34995 1/20 0.56
ALOX5 P09917 1/20 0.54
MAPK13 O15264 2/20 0.53
GCGR P47871 2/20 0.53
MAPK12 P53778 2/20 0.53
MAPK11 Q15759 2/20 0.53
RARA P10276 1/20 0.47
RARB P10826 1/20 0.47
RARG P13631 1/20 0.47
CDC25A P30304 1/20 0.46
CDC25B P30305 1/20 0.46
TEK Q02763 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CSNK1E P49674 1/20 0.46
DHODH Q02127 1/20 0.45
NSD3 Q9BZ95 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
SCHEMBL4422522 1.00 MAPK14 (0.59) MAPK14CSNK1DPTGER1ALOX5MAPK13
SCHEMBL4426390 0.88 RAF1 (0.57) MAPK14CSNK1DPTGER1ALOX5MAPK13
SCHEMBL7228732 0.88 RAF1 (0.57) MAPK14CSNK1DPTGER1ALOX5MAPK13
SCHEMBL7445283 0.88 MAPK14 (0.58) MAPK14CSNK1DPTGER1ALOX5MAPK13
SCHEMBL4426392 0.85 MAPK14 (0.52) MAPK14CSNK1DPTGER1ALOX5MAPK13
SCHEMBL8488765 0.81 MAPK14 (0.55) MAPK14CSNK1DPTGER1ALOX5MAPK13
SCHEMBL4429243 0.81 TEK (0.60) MAPK14CSNK1DPTGER1ALOX5MAPK13
SCHEMBL5082102 0.81 TEK (0.60) MAPK14CSNK1DPTGER1ALOX5MAPK13
SCHEMBL5488836 0.80 ALOX5 (0.47) MAPK14PTGER1ALOX5MAPK13GCGR
SCHEMBL822678 0.80 PTGER1 (0.56) MAPK14PTGER1ALOX5MAPK13GCGR

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 11 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
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
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
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-5656644-A CYTOKINE SUPPRESSORS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-12 US disclosed
CN-1083473-A New imidazolium compounds and pharmaceutical composition thereof SMITHKLINE BEECHAM CORP (US) 1994-03-09 CN 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 69/4885CSNK1D 736/4885PTGER1 1013/4885
US-20030064997-A1 Novel compounds BRD4, BRDT, HDAC6 MAPK14 3769/4885CSNK1D 1702/4885PTGER1 2445/4885
US-20040067953-A1 Combination therapy for treating, preventing or managing proliferative disorders and cancers MAP3K1, MAP3K2, MAP2K2 MAPK14 72/4885CSNK1D 540/4885PTGER1 1050/4885

“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.