SCHEMBL5814693

SCHEMBL5814693

O=C(Nc1ccc(OC(F)F)cc1)Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.57
MAPK8 P45983 8/20 0.52
MAPK10 P53779 8/20 0.52
MAPT P10636 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPK14 Q16539 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PIP5K1B O14986 1/20 0.47
PIP5K1C O60331 1/20 0.47
PIK3CA P42336 1/20 0.47
PIP5K1A Q99755 1/20 0.47
GALR2 O43603 1/20 0.47
TP53 P04637 1/20 0.46
NPC1 O15118 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
PIM1 P11309 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
SCHEMBL1518723 0.86 CNR1 (0.69) CNR1MAPK8MAPK10MAPK14SMN1; SMN2
SCHEMBL1518840 0.85 TP53 (0.65) CNR1MAPK8MAPK10MAPTMEN1
SCHEMBL1518602 0.84 MAPK10 (0.65) CNR1MAPK8MAPK10KMT2AMAPK14
SCHEMBL1518862 0.83 MEN1 (0.59) CNR1MAPK8MAPK10MAPTMEN1
SCHEMBL1518686 0.82 MAPK8 (0.59) CNR1MAPK8MAPK10MAPTMEN1
SCHEMBL1518722 0.82 CNR1 (0.64) CNR1MAPK8MAPK10MAPTMAPK14
SCHEMBL1518936 0.81 CNR1 (0.60) CNR1MAPK8MAPK10MAPTMEN1
SCHEMBL5808224 0.81 CNR1 (0.63) CNR1MAPK8MAPK10MAPK14SMN1; SMN2
SCHEMBL1518769 0.80 MAPK8 (0.59) CNR1MAPK8MAPK10MAPTMEN1
SCHEMBL4124271 0.80 RAB9A (0.64) MAPTMEN1KMT2ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CNR1 4090/4885MAPK8 25/4885MAPK10 12/4885
US-20120208846-A1 Therapeutic Methods For Type I Diabetes MAPK9, IAPP, RNASE1 CNR1 4090/4885MAPK8 25/4885MAPK10 12/4885
US-20060223807-A1 Therapeutic methods for type I diabetes MAPK9, IAPP, RNASE1 CNR1 4090/4885MAPK8 25/4885MAPK10 12/4885

“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.