SCHEMBL5082102

SCHEMBL5082102

COc1ccc(-c2nc(-c3ccccc3)c(-c3ccncc3)n2C)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 6/20 0.60
GABRA1 P14867 1/20 0.56
GABRG2 P18507 1/20 0.56
GABRB3 P28472 1/20 0.56
GABRA3 P34903 1/20 0.56
GABRA2 P47869 1/20 0.56
MAPK14 Q16539 5/20 0.54
MAPK13 O15264 4/20 0.54
MAPK12 P53778 4/20 0.54
MAPK11 Q15759 4/20 0.54
GCGR P47871 2/20 0.54
RAF1 P04049 1/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALOX5 P09917 1/20 0.52
CSF1R P07333 1/20 0.50

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
SCHEMBL4429243 1.00 TEK (0.60) TEKGABRA1GABRG2GABRB3GABRA3
SCHEMBL27881874 0.93 LMNA (0.59) TEKKDM4EALDH1A1LMNANPSR1
SCHEMBL21614233 0.83 ALDH1A1 (0.55) TEKGABRA1GABRG2GABRB3GABRA3
SCHEMBL4426390 0.82 RAF1 (0.57) TEKMAPK14MAPK13MAPK12MAPK11
SCHEMBL7228732 0.82 RAF1 (0.57) TEKMAPK14MAPK13MAPK12MAPK11
SCHEMBL822678 0.81 PTGER1 (0.56) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL27934228 0.81 TEK (0.49) TEKGABRA1GABRG2GABRB3GABRA3
SCHEMBL5079652 0.81 MAPK14 (0.59) TEKMAPK14MAPK13MAPK12MAPK11
SCHEMBL4422522 0.81 MAPK14 (0.59) TEKMAPK14MAPK13MAPK12MAPK11
SCHEMBL5078877 0.81 MAPK14 (0.53) TEKMAPK14MAPK13MAPK12MAPK11

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 16 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
CN-1083473-A New imidazolium compounds and pharmaceutical composition thereof SMITHKLINE BEECHAM CORP (US) 1994-03-09 CN 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-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
CN-1083473-A New imidazolium compounds and pharmaceutical composition thereof SMITHKLINE BEECHAM CORP (US) 1994-03-09 CN 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 TEK 509/4885GABRA1 3782/4885GABRG2 2827/4885
US-20030064997-A1 Novel compounds BRD4, BRDT, HDAC6 TEK 1744/4885GABRA1 2380/4885GABRG2 2506/4885
US-20040067953-A1 Combination therapy for treating, preventing or managing proliferative disorders and cancers MAP3K1, MAP3K2, MAP2K2 TEK 566/4885GABRA1 4560/4885GABRG2 4173/4885

“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.