SCHEMBL12036767

SCHEMBL12036767

Cc1ccc2sc(-c3c(Cl)nc(N)nc3Cl)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ TP53 P04637 1/20 0.58
▸ RAB9A P51151 5/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ GAA P10253 3/20 0.44
▸ GLA P06280 2/20 0.44
▸ APP P05067 2/20 0.44
▸ ILK Q13418 8/20 0.44
▸ DYRK1A Q13627 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ NFKB1 P19838 2/20 0.43
▸ NFKB2 Q00653 2/20 0.43
▸ RELA Q04206 2/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HPGD P15428 1/20 0.39

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
SCHEMBL12057939 0.79 ILK (0.59) MAPTRAB9AKDM4ENPC1GAA
SCHEMBL23176648 0.76 MAPT (0.62) MAPTSMN1; SMN2TP53RAB9AKDM4E
SCHEMBL12036765 0.75 IRAK4 (0.77) —
SCHEMBL12408909 0.74 MAPT (0.84) MAPTSMN1; SMN2TP53RAB9AKDM4E
SCHEMBL8534189 0.74 MAPT (1.00) MAPTSMN1; SMN2TP53RAB9AKDM4E
SCHEMBL29657204 0.73 MAPT (0.69) MAPTSMN1; SMN2TP53RAB9AKDM4E
SCHEMBL14878460 0.73 MAPT (0.81) MAPTSMN1; SMN2TP53RAB9AKDM4E
SCHEMBL29572251 0.72 MAPT (0.72) MAPTSMN1; SMN2TP53RAB9ANPC1
SCHEMBL12262 0.72 MAPT (0.72) MAPTSMN1; SMN2TP53RAB9ANPC1
SCHEMBL30189802 0.72 SMN1; SMN2 (0.51) MAPTSMN1; SMN2TP53RAB9AKDM4E

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-9433621-B2 Substituted pyridine and pyrimidine derivatives and their use in treating viral infections MERCK SHARP & DOHME CORP. (US) 2016-09-06 — — US disclosed
US-20140242027-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS SOUTHERN RESEARCH INSTITUTE (US) 2014-08-28 — — US disclosed
US-20110318305-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS MERCK SHARP & DOHME LLC 2011-12-29 — — US 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-20110318305-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS PNP, XDH, PNPO MAPT 186/4885SMN1; SMN2 2306/4885TP53 474/4885
US-20140242027-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS PNP, XDH, PNPO MAPT 186/4885SMN1; SMN2 2306/4885TP53 474/4885

“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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