SCHEMBL3113231

SCHEMBL3113231

COc1ccccc1CC(N)c1nc(Cl)nc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.41
TSHR P16473 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
LMNA P02545 2/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
ALOX15 P16050 1/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2C9 P11712 1/20 0.40
ADORA2A P29274 1/20 0.39
KCNA5 P22460 1/20 0.38
EGFR P00533 1/20 0.38
PDGFRB P09619 1/20 0.38

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
SCHEMBL3113186 0.80 EGFR (0.49) APPCYP3A4CYP2D6CYP2C19LMNA
SCHEMBL3113281 0.79 ADORA2A (0.42) APPLMNAALOX15MAPTKMT2A
SCHEMBL3112334 0.77 TAAR1 (0.50) APPTSHRCYP3A4CYP2D6CYP2C19
SCHEMBL23723285 0.75 APP (0.43) APPTSHRLMNATP53MAPT
SCHEMBL3117294 0.74 POLB (0.41) APPLMNAMEN1MAPTKMT2A
SCHEMBL23723247 0.74 APP (0.42) APPTSHRLMNATP53MAPT
SCHEMBL3121029 0.72 L3MBTL1 (0.52) APPLMNAMEN1TP53MAPT
SCHEMBL3113286 0.72 CYP1A2 (0.70) APPTSHRCYP3A4CYP2D6CYP2C19
SCHEMBL23243765 0.72 ATM (0.54) CYP2D6MEN1MAPTKMT2AL3MBTL1
SCHEMBL23243766 0.72 ATM (0.54) CYP2D6MEN1MAPTKMT2AL3MBTL1

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-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 US claimed
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

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-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX APP 2989/4885TSHR 4526/4885CYP3A4 1067/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX APP 3261/4885TSHR 4539/4885CYP3A4 961/4885

“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.