SCHEMBL17680437

SCHEMBL17680437

Cc1cc(-c2cnn(C)c2)c([N+](=O)[O-])cc1NC=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.47
MAPT P10636 1/20 0.40
FYN P06241 1/20 0.39
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CREBBP Q92793 3/20 0.34
ALK Q9UM73 1/20 0.33
CCNT1 O60563 1/20 0.33
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
LRRK2 Q5S007 1/20 0.33
BRD4 O60885 1/20 0.33
S1PR2 O95136 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32

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
SCHEMBL17670466 0.85 ERN1 (0.45) ERN1MAPTFYNCDK2LRRK2
SCHEMBL17680436 0.79 ERN1 (0.46) ERN1MAPTMAOAMAOBCREBBP
SCHEMBL19175137 0.73 ERN1 (0.44) ERN1MAPTCREBBPLRRK2
SCHEMBL15508177 0.73 FYN (0.52) ERN1FYNCREBBPALKCDK2
SCHEMBL17670401 0.69 ERN1 (0.50) ERN1MAPTFYNALKCCNT1
SCHEMBL22652108 0.69 ERN1 (0.52) ERN1MAPTCDK2BRD4
SCHEMBL16134054 0.69 MAPT (0.58) ERN1MAPTBRD4
SCHEMBL17683760 0.68 ERN1 (0.44) ERN1FYNLRRK2BRD4
SCHEMBL6374348 0.68 ALDH1A1 (0.54) ERN1BRD4
SCHEMBL17785856 0.68 ALDH1A1 (0.47) ERN1MAPTALKCCNT1CCNE2

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-9593098-B2 Compounds and compositions for modulating EGFR mutant kinase activities YUHAN CORPORATION (KR) 2017-03-14 US disclosed
US-20160102076-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR MUTANT KINASE ACTIVITIES YUHAN CORPORATION 2016-04-14 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-20160102076-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR MUTANT KINASE ACTIVITIES EGFR, ERBB2, ERBB3 ERN1 582/4885MAPT 1871/4885FYN 86/4885

“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.