SCHEMBL17680435

SCHEMBL17680435

Cn1cc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.55
ERN1 O75460 3/20 0.55
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
CCNT1 O60563 1/20 0.44
CCNE2 O96020 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
CDK9 P50750 1/20 0.44
AURKA O14965 1/20 0.42
TTK P33981 1/20 0.42
AURKB Q96GD4 1/20 0.42
INCENP Q9NQS7 1/20 0.42
HSP90AA1 P07900 1/20 0.40
ALK Q9UM73 1/20 0.40
MET P08581 1/20 0.40
PIK3CD O00329 2/20 0.40
BAZ2B Q9UIF8 1/20 0.40
BAZ2A Q9UIF9 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
SCHEMBL17680442 0.89 ERN1 (0.49) CYP19A1ERN1MAPTALDH1A1POLB
SCHEMBL1571809 0.89 ERN1 (0.55) CYP19A1ERN1MAPTALDH1A1POLB
SCHEMBL16055423 0.85 ERN1 (0.46) CYP19A1ERN1MAPTALDH1A1POLB
SCHEMBL1571428 0.85 ERN1 (0.52) CYP19A1ERN1MAPTALDH1A1POLB
SCHEMBL31259643 0.84 CCNC (0.47) CYP19A1ERN1MAPTALDH1A1POLB
SCHEMBL17670401 0.83 ERN1 (0.50) CYP19A1ERN1MAPTALDH1A1POLB
SCHEMBL22466151 0.83 BAZ2B (0.50) ERN1MAPTALDH1A1CCNT1CCNE2
SCHEMBL31259726 0.82 CA12 (0.46) CYP19A1ERN1MAPTALDH1A1POLB
SCHEMBL14863036 0.82 SMN1; SMN2 (0.47) ERN1MAPTALDH1A1POLBCCNT1
SCHEMBL31259778 0.82 ERN1 (0.44) CYP19A1ERN1MAPTALDH1A1POLB

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-9593098-B2 Compounds and compositions for modulating EGFR mutant kinase activities YUHAN CORPORATION (KR) 2017-03-14 US disclosed
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
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 CYP19A1 3203/4885ERN1 582/4885MAPT 1871/4885

“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.