SCHEMBL1936652

SCHEMBL1936652

CCCOc1ncccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 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
SCHEMBL19172730 0.91 CYP2C9 (0.55) CYP1A2CYP2C9CYP2C19MAPTMAPK1
SCHEMBL27795170 0.87 ALDH1A1 (0.49) CYP1A2CYP2C9CYP2C19MAPTALDH1A1
SCHEMBL1647418 0.84 ALDH1A1 (0.50) MAPK1NPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL28696981 0.84 KMT2A (0.39) CYP1A2CYP2C9CYP2C19MAPTHPGD
SCHEMBL29977462 0.84 ALDH1A1 (0.50) MAPK1NPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL19172641 0.83 GRM4 (0.49) CYP1A2CYP2C9CYP2C19ALDH1A1GRM4
SCHEMBL2368539 0.81 ALOX5AP (0.45) ALDH1A1MEN1KMT2AGRM4PDE5A
SCHEMBL19841864 0.80 TDP1 (0.47) MAPK1HTTMEN1KMT2ATLR8
SCHEMBL6302801 0.80 CHRNB2 (0.50) ALDH1A1GRM4LMNA
SCHEMBL14334703 0.80 ALDH1A1 (0.41) HPGDALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250320204-A1 7-AZA BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC (US) 2025-10-16 US disclosed
EP-2331551-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2011-06-15 EP disclosed
WO-2010023181-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-04 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 (1 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-20250320204-A1 7-AZA BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS ENPP1, ENPP3, PDE7A CYP1A2 563/4885CYP2C9 616/4885CYP2C19 413/4885

“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.