SCHEMBL5814747

SCHEMBL5814747

COc1cc(NC(=O)Nc2cc(-c3ccnc(Nc4ccccc4)c3)ccn2)cc(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 12/20 0.61
MAPK8 P45983 10/20 0.61
CNR1 P21554 1/20 0.54
MAPK14 Q16539 4/20 0.53
EGFR P00533 2/20 0.53
FGFR1 P11362 1/20 0.53
TP53 P04637 1/20 0.52
PIP5K1C O60331 2/20 0.50
PIK3CA P42336 2/20 0.50
PIP5K1B O14986 1/20 0.50
PIP5K1A Q99755 1/20 0.50
ERBB3 P21860 1/20 0.48
LMNA P02545 1/20 0.47
ALOX12 P18054 1/20 0.47
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.46

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
SCHEMBL1518593 0.92 MAPK8 (0.59) MAPK10MAPK8CNR1MAPK14TP53
SCHEMBL1518840 0.91 TP53 (0.65) MAPK10MAPK8CNR1MAPK14EGFR
SCHEMBL1518723 0.86 CNR1 (0.69) MAPK10MAPK8CNR1MAPK14EGFR
SCHEMBL1518830 0.85 MAPK10 (0.63) MAPK10MAPK8CNR1MAPK14NPC1
SCHEMBL1518943 0.84 MAPK10 (0.58) MAPK10MAPK8CNR1MAPK14PIP5K1C
SCHEMBL1518738 0.84 MAPK8 (0.55) MAPK10MAPK8CNR1MAPK14EGFR
SCHEMBL1518769 0.83 MAPK8 (0.59) MAPK10MAPK8CNR1MAPK14TP53
SCHEMBL1518602 0.82 MAPK10 (0.65) MAPK10MAPK8CNR1MAPK14TP53
SCHEMBL1518722 0.82 CNR1 (0.64) MAPK10MAPK8CNR1MAPK14TP53
SCHEMBL1518877 0.82 CNR1 (0.67) MAPK10MAPK8CNR1MAPK14PIP5K1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004052880-A1 PYRIDINE DERIVATIVES AS JNK INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2004-06-24 WO claimed
US-20150313881-A1 Therapeutic Methods for Type I Diabetes UNIVERSITY OF MASSACHUSETTS 2015-11-05 US disclosed
US-8501812-B2 Therapeutic methods for type I diabetes UNIVERSITY OF MASSACHUSETTS (US) 2013-08-06 US disclosed
US-20120208846-A1 Therapeutic Methods For Type I Diabetes UNIVERSITY OF MASSACHUSETTS 2012-08-16 US disclosed
US-20060223807-A1 Therapeutic methods for type I diabetes UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL, A MASSACHUSETTS CORPORATION (US) 2006-10-05 US disclosed
WO-2006104983-A1 THERAPEUTIC METHODS FOR TYPE I DIABETES UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL (US) 2006-10-05 WO disclosed
WO-2004052880-A1 PYRIDINE DERIVATIVES AS JNK INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2004-06-24 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-20150313881-A1 Therapeutic Methods for Type I Diabetes MAPK9, IAPP, RNASE1 MAPK10 12/4885MAPK8 25/4885CNR1 4090/4885
US-20120208846-A1 Therapeutic Methods For Type I Diabetes MAPK9, IAPP, RNASE1 MAPK10 12/4885MAPK8 25/4885CNR1 4090/4885
US-20060223807-A1 Therapeutic methods for type I diabetes MAPK9, IAPP, RNASE1 MAPK10 12/4885MAPK8 25/4885CNR1 4090/4885

“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.