SCHEMBL4449557

SCHEMBL4449557

NC(=O)c1cc2ncccc2cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
PARP1 P09874 2/20 0.45
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CASP1 P29466 2/20 0.44
CASP7 P55210 1/20 0.44
LCK P06239 1/20 0.44
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
CASP6 P55212 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
NR4A2 P43354 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 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
SCHEMBL7145196 0.86 LCK (0.47) NPC1PARP1ALDH1A1MEN1KMT2A
SCHEMBL4791247 0.84 NPC1 (0.53) NPC1ALDH1A1MEN1KMT2ACASP1
SCHEMBL21608895 0.83 NPC1 (0.47) NPC1ALDH1A1MEN1KMT2ACASP1
SCHEMBL6921081 0.79 ALOX15 (0.57) NPC1ALDH1A1LCKMAPTRAB9A
SCHEMBL29745031 0.78 LCK (0.53) PARP1ALDH1A1KMT2ALCKRAB9A
SCHEMBL678365 0.78 LCK (0.53) PARP1ALDH1A1KMT2ALCKRAB9A
Hydrochloric Acid SCHEMBL19584451 0.77 LCK (0.51) PARP1ALDH1A1KMT2ALCKRAB9A
SCHEMBL5173369 0.75 LCK (0.56) PARP1KMT2ALCKTSHRSMN1; SMN2
SCHEMBL14161837 0.74 EGFR (0.50) NPC1ALDH1A1MEN1KMT2AMAPT
SCHEMBL2232014 0.74 ALDH1A1 (0.55) PARP1ALDH1A1MEN1KMT2ACASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10703748-B2 Diazanaphthalen-3-yl carboxamides and preparation and use thereof SAMUMED, LLC (US) 2020-07-07 US disclosed
US-20190127370-A1 DIAZANAPHTHALEN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2019-05-02 US disclosed
CN-102558172-B 5,8-bis-replaces-1,6-naphthyridine-7-amidocarbonylation compound and dimer compound thereof, Preparation Method And The Use SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-11-25 CN disclosed
WO-2009154870-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2009-12-23 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 (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-20190127370-A1 DIAZANAPHTHALEN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF DYRK1A, DKK1, WNT1 NPC1 4572/4885PARP1 917/4885ALDH1A1 3626/4885
US-10703748-B2 Diazanaphthalen-3-yl carboxamides and preparation and use thereof DYRK1A, DKK1, WNT1 NPC1 4572/4885PARP1 917/4885ALDH1A1 3626/4885

“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.