SCHEMBL1518754

SCHEMBL1518754

O=C(Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1)c1ccco1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 8/20 1.00
MAPK10 P53779 8/20 1.00
RAB9A P51151 8/20 0.61
NPC1 O15118 7/20 0.61
SMN1; SMN2 Q16637 7/20 0.61
CYP1A2 P05177 1/20 0.61
TP53 P04637 3/20 0.59
MAPT P10636 2/20 0.59
MEN1 O00255 1/20 0.59
GFER P55789 1/20 0.59
KMT2A Q03164 1/20 0.59
MAPK14 Q16539 2/20 0.59
PIP5K1B O14986 1/20 0.56
PIP5K1C O60331 1/20 0.56
PIK3CA P42336 1/20 0.56
PIP5K1A Q99755 1/20 0.56
USP2 O75604 1/20 0.55
HSD17B10 Q99714 2/20 0.55
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 2/20 0.53

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
SCHEMBL1518991 0.84 MAPK10 (0.72) MAPK8MAPK10MEN1KMT2AMAPK14
SCHEMBL4004296 0.84 MAPK8 (0.72) MAPK8MAPK10RAB9ANPC1SMN1; SMN2
SCHEMBL8349353 0.83 MAPK8 (0.71) MAPK8MAPK10RAB9ANPC1SMN1; SMN2
SCHEMBL8351775 0.82 MAPK8 (0.69) MAPK8MAPK10RAB9ANPC1SMN1; SMN2
SCHEMBL1518767 0.82 MAPK8 (0.69) MAPK8MAPK10RAB9ANPC1SMN1; SMN2
SCHEMBL1518874 0.82 MAPK10 (0.72) MAPK8MAPK10MAPK14PIP5K1BPIP5K1C
SCHEMBL3996393 0.81 NPC1 (0.70) MAPK8MAPK10RAB9ANPC1SMN1; SMN2
SCHEMBL3999434 0.80 MAPK8 (0.66) MAPK8MAPK10RAB9ANPC1SMN1; SMN2
SCHEMBL1518757 0.79 MAPK10 (0.67) MAPK8MAPK10TP53MEN1KMT2A
SCHEMBL1519011 0.79 MAPK8 (0.65) MAPK8MAPK10SMN1; SMN2CYP1A2TP53

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 8 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-7897572-B1 Theraputic methods for type I diabetes UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL (US) 2011-03-01 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 MAPK8 25/4885MAPK10 12/4885RAB9A 221/4885
US-20120208846-A1 Therapeutic Methods For Type I Diabetes MAPK9, IAPP, RNASE1 MAPK8 25/4885MAPK10 12/4885RAB9A 221/4885
US-20060223807-A1 Therapeutic methods for type I diabetes MAPK9, IAPP, RNASE1 MAPK8 25/4885MAPK10 12/4885RAB9A 221/4885

“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.