SCHEMBL3115206

SCHEMBL3115206

COc1ccc(CNc2nc(CCl)nc3ccc(F)cc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
GPR35 Q9HC97 1/20 0.52
HRH4 Q9H3N8 1/20 0.49
APP P05067 1/20 0.49
USP10 Q14694 1/20 0.48
PIK3C3 Q8NEB9 1/20 0.48
USP13 Q92995 1/20 0.48
EGFR P00533 2/20 0.46
FLT3 P36888 2/20 0.46
HTT P42858 1/20 0.45
PDE5A O76074 2/20 0.44
USP1 O94782 1/20 0.44
WDR48 Q8TAF3 1/20 0.44
POLB P06746 1/20 0.44
TBXAS1 P24557 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44

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
SCHEMBL3118654 0.89 MAP2K4 (0.54) MAP2K4MEN1KMT2AGPR35HRH4
Hydrochloric Acid SCHEMBL3113771 0.88 MAP2K4 (0.53) MAP2K4MEN1KMT2AGPR35HRH4
SCHEMBL3117821 0.87 APP (0.50) MEN1KMT2AHRH4APPEGFR
SCHEMBL92716 0.83 APP (0.70) APPEGFRPDE5AUSP1WDR48
Hydrochloric Acid SCHEMBL1685030 0.82 APP (0.68) KMT2AAPPEGFRPDE5AUSP1
Hydrochloric Acid SCHEMBL3115929 0.81 EGFR (0.53) MEN1KMT2AHRH4APPEGFR
SCHEMBL3121133 0.77 APP (0.46) MAP2K4APPEGFRHTTUSP1
Hydrochloric Acid SCHEMBL3118108 0.76 APP (0.46) MAP2K4MEN1KMT2AAPPEGFR
SCHEMBL3114733 0.76 APP (0.53) MEN1KMT2AHRH4APPEGFR
SCHEMBL3108883 0.76 MEN1 (0.60) MEN1KMT2AGPR35HRH4APP

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-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF MYREXIS, INC. (US) 2013-01-31 US disclosed
US-8309562-B2 Compounds and therapeutical use thereof MYREXIS, INC. (US) 2012-11-13 US disclosed
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 US disclosed
US-20100068197-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-03-18 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 (3 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-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX MAP2K4 3850/4885MEN1 2032/4885KMT2A 4023/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX MAP2K4 3788/4885MEN1 1979/4885KMT2A 3742/4885
US-20100068197-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MKI67, CCNI, CCNA1 MAP2K4 2361/4885MEN1 156/4885KMT2A 4400/4885

“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.