SCHEMBL5121979

SCHEMBL5121979

COc1ccc(CNc2nc(-c3ccncc3)nc3sc(C)c(Cl)c23)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PRKCI P41743 11/20 0.48
TSHR P16473 1/20 0.43
CHRM4 P08173 1/20 0.42
TNF P01375 1/20 0.41
NOD1 Q9Y239 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
STAT1 P42224 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 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
SCHEMBL5813871 0.96 MEN1 (0.46) MEN1KMT2APRKCITSHRCHRM4
SCHEMBL5130858 0.93 PRKCI (0.47) MEN1KMT2APRKCICHRM4
SCHEMBL5121900 0.90 PRKCI (0.60) MEN1KMT2APRKCITNFNOD1
SCHEMBL5129098 0.89 ALDH1A1 (0.49) MEN1KMT2ATSHR
SCHEMBL8170980 0.87 KMT2A (0.46) MEN1KMT2ATSHRCHRM4TNF
SCHEMBL8170575 0.87 KMT2A (0.48) MEN1KMT2ATSHRCHRM4BCHE
SCHEMBL5129890 0.86 PRKCI (0.51) PRKCI
SCHEMBL7172866 0.86 ALDH1A1 (0.52) MEN1KMT2ATSHR
SCHEMBL5121765 0.86 PRKCI (0.57) MEN1KMT2APRKCICHRM4
SCHEMBL5123241 0.85 CHRM4 (0.42) MEN1KMT2ATSHRCHRM4TNF

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-20080045529-A1 Use Of Thienopyrimidines MERCK PATENT GMBH (DE) 2008-02-21 US disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 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 (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-20080045529-A1 Use Of Thienopyrimidines TIE1, DPYD, TK2 MEN1 696/4885KMT2A 388/4885PRKCI 1513/4885

“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.