SCHEMBL5082085

SCHEMBL5082085

CCC(SC)n1c(-c2ccccc2CN2CCOCC2)nc(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.45
MAPK13 O15264 11/20 0.45
MAPK12 P53778 11/20 0.45
MAPK11 Q15759 11/20 0.45
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43
ALOX5 P09917 1/20 0.42
GCGR P47871 2/20 0.39
SLC2A1 P11166 1/20 0.38
CYP2A13 Q16696 2/20 0.35

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
SCHEMBL4566366 0.85 ADORA2A (0.46) MAPK14MAPK13MAPK12MAPK11ADORA2A
SCHEMBL7232352 0.85 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11ADORA2A
Morpholine SCHEMBL7990935 0.85 MAPK14 (0.37) MAPK14MAPK13MAPK12MAPK11ADORA2A
SCHEMBL8524296 0.83 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11ALOX5
Morpholine SCHEMBL7387653 0.83 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL8490495 0.68 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL8488803 0.68 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11ALOX5
Morpholine SCHEMBL7382870 0.68 ALOX5 (0.40) MAPK14MAPK13MAPK12MAPK11ALOX5
Morpholine SCHEMBL7243744 0.68 MAPK14 (0.35) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL5641898 0.67 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11

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
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-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
WO-1997036587-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-10-09 WO 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
EP-0906099-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2001-02-07 EP disclosed
EP-0934270-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-08-11 EP disclosed
EP-0906099-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-04-07 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
US-5656644-A CYTOKINE SUPPRESSORS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-12 US disclosed
WO-1995003297-A1 IMIDAZOLES FOR TREATING CYTOKINE MEDIATED DISEASE SMITHKLINE BEECHAM CORPORATION (US) 1995-02-02 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 69/4885MAPK13 66/4885MAPK12 59/4885
US-20030064997-A1 Novel compounds BRD4, BRDT, HDAC6 MAPK14 3769/4885MAPK13 2219/4885MAPK12 3250/4885
US-20040067953-A1 Combination therapy for treating, preventing or managing proliferative disorders and cancers MAP3K1, MAP3K2, MAP2K2 MAPK14 72/4885MAPK13 54/4885MAPK12 56/4885

“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.