SCHEMBL3028524

SCHEMBL3028524

O=C(O)c1csc(Nc2ccc(Br)cn2)n1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
KDM1A O60341 1/20 0.50
KDM4E B2RXH2 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 1/20 0.46
RAB9A P51151 8/20 0.41
NPC1 O15118 6/20 0.41
POLB P06746 1/20 0.41
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
STAT3 P40763 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL525280 0.83 MEN1 (0.56) MEN1KMT2AMAPTKDM1AKDM4E
SCHEMBL14742760 0.83 RAB9A (0.60) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL2657168 0.81 CYP1A2 (0.54) ALDH1A1MAPTKDM1AKDM4ERAB9A
SCHEMBL3043516 0.80 GAA (0.51) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL4919827 0.80 KDM1A (0.76) MEN1KMT2AALDH1A1MAPTKDM1A
SCHEMBL525588 0.77 NPC1 (0.61) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL13822770 0.77 MEN1 (0.42) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL2656650 0.77 GCK (0.50) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL2669599 0.76 CCNK (0.42) MEN1KMT2AALDH1A1MAPTKDM1A
SCHEMBL2657411 0.74 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420642-B2 Pyridine derivatives useful as glucokinase activators MERCK PATENT GMBH (DE) 2013-04-16 US claimed
US-20100216794-A1 PYRIDINE DERIVATIVES USEFUL AS GLUCOKINASE ACTIVATORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-08-26 US claimed

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-20100216794-A1 PYRIDINE DERIVATIVES USEFUL AS GLUCOKINASE ACTIVATORS HK1, GCKR, GCK MEN1 3873/4885KMT2A 3563/4885ALDH1A1 493/4885

“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.