SCHEMBL12038683

SCHEMBL12038683

CN(C)c1nc(Cl)c(-c2nc3ccccc3s2)c(N[C@@H]2CCC[C@H]2O)n1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ILK Q13418 1/20 0.59
IRAK4 Q9NWZ3 18/20 0.50
AHR P35869 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL12037045 0.88 ILK (0.63) ILKIRAK4
SCHEMBL12058279 0.85 IRAK4 (0.52) IRAK4AHRRAB9ASMN1; SMN2HSD17B10
SCHEMBL12036759 0.81 IRAK4 (0.65) IRAK4
SCHEMBL12037824 0.81 IRAK4 (0.76) IRAK4
SCHEMBL12037634 0.79 IRAK4 (0.62) IRAK4
SCHEMBL13493398 0.78 IRAK4 (0.47) IRAK4
SCHEMBL12058056 0.77 IRAK4 (0.51) IRAK4
SCHEMBL12058042 0.75 IRAK4 (0.43) IRAK4AHRRAB9ASMN1; SMN2HSD17B10
SCHEMBL12036895 0.75 ILK (0.59) ILKIRAK4
SCHEMBL12058091 0.75 IRAK4 (0.54) IRAK4

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-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
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 ILK 4638/4885IRAK4 706/4885AHR 1239/4885
US-20140242027-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS PNP, XDH, PNPO ILK 4638/4885IRAK4 706/4885AHR 1239/4885

“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.