SCHEMBL1519009

SCHEMBL1519009

CCCCc1ccc(NC(=O)Nc2cc(-c3ccnc(Nc4ccccc4)c3)ccn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ CASP3 P42574 1/20 0.56
▸ SENP8 Q96LD8 1/20 0.56
▸ SENP7 Q9BQF6 1/20 0.56
▸ SENP6 Q9GZR1 1/20 0.56
▸ CNR1 P21554 1/20 0.56
▸ MAPK8 P45983 9/20 0.53
▸ MAPK10 P53779 9/20 0.53
▸ MAPK14 Q16539 3/20 0.49
▸ TRPV1 Q8NER1 2/20 0.49
▸ PIP5K1B O14986 1/20 0.47
▸ PIP5K1C O60331 1/20 0.47
▸ PIK3CA P42336 1/20 0.47
▸ PIP5K1A Q99755 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47

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
SCHEMBL1518864 0.89 CNR1 (0.60) MEN1KMT2ANPC1RAB9ACNR1
SCHEMBL1518686 0.87 MAPK8 (0.59) MEN1KMT2ACNR1MAPK8MAPK10
SCHEMBL1518583 0.87 MAPK10 (0.49) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL1518723 0.85 CNR1 (0.69) NPC1RAB9ACASP3SENP7CNR1
SCHEMBL1518916 0.84 CNR1 (0.63) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL1518722 0.83 CNR1 (0.64) NPC1RAB9ACNR1MAPK8MAPK10
SCHEMBL1518862 0.83 MEN1 (0.59) MEN1KMT2ANPC1RAB9ACNR1
SCHEMBL1518876 0.81 MAPK10 (0.58) MEN1KMT2ANPC1RAB9ACNR1
SCHEMBL1518730 0.81 CNR1 (0.61) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL1518602 0.81 MAPK10 (0.65) KMT2ANPC1RAB9ACNR1MAPK8

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
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 MEN1 3910/4885KMT2A 2064/4885NPC1 4384/4885
US-20120208846-A1 Therapeutic Methods For Type I Diabetes MAPK9, IAPP, RNASE1 MEN1 3910/4885KMT2A 2064/4885NPC1 4384/4885
US-20060223807-A1 Therapeutic methods for type I diabetes MAPK9, IAPP, RNASE1 MEN1 3910/4885KMT2A 2064/4885NPC1 4384/4885

“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.

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