SCHEMBL12374628

SCHEMBL12374628

COC(=O)c1cnc2c(c1)nc(-c1ccc(C)cc1)n2C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 3/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ATM Q13315 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
PSMD14 O00487 1/20 0.39
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
PTGER4 P35408 1/20 0.37
CNR1 P21554 1/20 0.37

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
SCHEMBL2276223 0.87 IDH1 (0.46)
SCHEMBL12374627 0.87 KDM4E (0.45) TDP1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL2282517 0.77 IDH1 (0.45) PTGER4
SCHEMBL6789587 0.72 SIRT2 (0.47) HPGDMAPTKDM4ESMN1; SMN2RAB9A
SCHEMBL6701014 0.70 MTOR (0.44) HPGDATMSMN1; SMN2ALDH1A1PIK3CA
SCHEMBL19763370 0.69 HDAC6 (0.59) TDP1HPGDMAPTKDM4EATM
SCHEMBL14022400 0.69 TDP1 (0.60) TDP1HPGDMAPTKDM4EATM
SCHEMBL2116241 0.69 ALDH1A1 (0.57) TDP1HPGDMAPTKDM4EATM
SCHEMBL15970982 0.69 PSMD14 (0.48) HPGDKDM4EATMSMN1; SMN2ALDH1A1
SCHEMBL17221411 0.67 MAOB (0.53) TDP1HPGDMAPTKDM4EATM

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-8470819-B2 Benzimidazole and aza-benzimidazole carboxamides MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME LLC 2011-08-25 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-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES PAFAH1B3, PAFAH1B2, PAF1 TDP1 2436/4885HPGD 1081/4885MAPT 4800/4885

“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.