SCHEMBL5488832

SCHEMBL5488832

CC(=O)Nc1ccc(-c2nc(-c3ccccc3)c(-c3ccncc3)n2C)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.49
MAPK14 Q16539 4/20 0.47
TEK Q02763 3/20 0.47
MAPK13 O15264 1/20 0.47
CSF1R P07333 1/20 0.47
FGFR1 P11362 1/20 0.47
KDR P35968 1/20 0.47
TGFBR1 P36897 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
FABP5 Q01469 1/20 0.45
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL8488765 0.78 MAPK14 (0.55) FABP4MAPK14MAPK13MAPK12MAPK11
SCHEMBL27372589 0.76 MAPK14 (0.49) FABP4MAPK14TEKMAPK13CSF1R
Formic Acid SCHEMBL27372078 0.75 FABP4 (0.51) FABP4MAPK14TEKMAPK13CSF1R
SCHEMBL7188387 0.74 MAPT (0.57) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL20271796 0.74 FABP4 (0.51) FABP4MAPK14MAPK13MAPK12MAPK11
SCHEMBL4426392 0.73 MAPK14 (0.52) FABP4MAPK14TEKMAPK13MAPK12
SCHEMBL5488836 0.72 ALOX5 (0.47) FABP4MAPK14MAPK13MAPK12MAPK11
SCHEMBL7445283 0.72 MAPK14 (0.58) FABP4MAPK14MAPK13MAPK12MAPK11
SCHEMBL5079652 0.72 MAPK14 (0.59) MAPK14TEKMAPK13MAPK12MAPK11
SCHEMBL4422522 0.72 MAPK14 (0.59) MAPK14TEKMAPK13MAPK12MAPK11

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 10 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-20070149571-A1 Combination therapy for treating or managing acute myelocytic leukemia SIGNAL PHARMACEUTICALS, LLC 2007-06-28 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 FABP4 2022/4885MAPK14 69/4885TEK 509/4885
US-20030064997-A1 Novel compounds BRD4, BRDT, HDAC6 FABP4 1660/4885MAPK14 3769/4885TEK 1744/4885

“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.