SCHEMBL5620728

SCHEMBL5620728

N=Cc1ccc2cccnc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C19 P33261 1/20 0.60
ALDH1A1 P00352 6/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
CASP1 P29466 2/20 0.55
CASP7 P55210 1/20 0.55
NR4A2 P43354 1/20 0.55
NPC1 O15118 4/20 0.45
MAPT P10636 4/20 0.45
RAB9A P51151 3/20 0.45
ATM Q13315 2/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
POLB P06746 1/20 0.44
CYP3A4 P08684 3/20 0.44
TRPV1 Q8NER1 1/20 0.43
PDGFRB P09619 1/20 0.43

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
SCHEMBL28864707 0.86 NPC1 (0.60) HTTCYP1A2CYP2C19ALDH1A1MEN1
SCHEMBL29955934 0.82 ALDH1A1 (0.53) HTTCYP1A2CYP2C19ALDH1A1MEN1
SCHEMBL401692 0.82 ALDH1A1 (0.53) HTTCYP1A2CYP2C19ALDH1A1MEN1
SCHEMBL27572181 0.82 ALDH1A1 (0.53) HTTCYP1A2CYP2C19ALDH1A1MEN1
SCHEMBL8152450 0.82 ALDH1A1 (0.53) HTTCYP1A2CYP2C19ALDH1A1MEN1
SCHEMBL6630673 0.82 ALDH1A1 (0.53) HTTCYP1A2CYP2C19ALDH1A1MEN1
SCHEMBL24817285 0.82 ALDH1A1 (0.49) HTTCYP1A2CYP2C19ALDH1A1MEN1
SCHEMBL9970465 0.81 NPC1 (0.54) HTTCYP1A2CYP2C19ALDH1A1MEN1
Hydrochloric Acid SCHEMBL27466069 0.81 ALDH1A1 (0.52) HTTCYP1A2CYP2C19ALDH1A1MEN1
SCHEMBL6656717 0.79 ALDH1A1 (0.50) HTTCYP1A2CYP2C19ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070173525-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2007-07-26 US disclosed
EP-1496897-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2006-05-10 EP disclosed
US-20050239815-A1 Tyrosine kinase inhibitors KIM ANNETTE J 2005-10-27 US disclosed
EP-1496897-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2005-01-19 EP disclosed
WO-2003086395-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-10-23 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-20070173525-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 HTT 2910/4885CYP1A2 2062/4885CYP2C19 1764/4885
US-20050239815-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 HTT 2910/4885CYP1A2 2062/4885CYP2C19 1764/4885

“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.