SCHEMBL8932207

SCHEMBL8932207

CNc1ncnc2cc(C)c([N+](=O)[O-])cc12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.50
GALR2 O43603 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
ABCG2 Q9UNQ0 4/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
FBP1 P09467 1/20 0.42
GAA P10253 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
SCHEMBL8932196 0.84 EGFR (0.60) EGFRGALR2LMNAPOLBABCG2
SCHEMBL15929508 0.84 EGFR (0.49) EGFRGALR2LMNAPOLBABCG2
SCHEMBL8932198 0.82 EGFR (0.64) EGFRGALR2LMNAPOLBABCG2
SCHEMBL20412178 0.81 GAA (0.44) EGFRABCG2CYP3A4TSHRFBP1
SCHEMBL29029701 0.81 FBP1 (0.43) EGFRLMNAABCG2FBP1
SCHEMBL14579636 0.80 GAA (0.43) EGFRABCG2CYP3A4TSHRGAA
SCHEMBL8986212 0.79 CYP1A2 (0.54) EGFRLMNACYP1A2CYP3A4CYP2D6
SCHEMBL28755534 0.79 GAA (0.49) EGFRLMNACYP3A4TSHRGAA
SCHEMBL14579634 0.79 GAA (0.42) EGFRABCG2CYP3A4TSHRGAA
SCHEMBL29029705 0.79 ABCG2 (0.43) EGFRABCG2FBP1

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-8188274-B2 Process for preparing aminocrotonylamino-substituted quinazoline derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-29 US disclosed
US-8067593-B2 Process for preparing aminocrotonylamino-substituted quinazoline derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-29 US disclosed
US-20110207929-A1 Process for preparing aminocrotonylamino-substituted quinazoline derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-25 US disclosed
US-20110207932-A1 Process for preparing aminocrotonylamino-substituted quinazoline derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 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 (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-20110207932-A1 Process for preparing aminocrotonylamino-substituted quinazoline derivatives EGFR, CNKSR1, ERBB2 EGFR 1/4885GALR2 1255/4885LMNA 4013/4885
US-20110207929-A1 Process for preparing aminocrotonylamino-substituted quinazoline derivatives EGFR, CNKSR1, ERBB2 EGFR 1/4885GALR2 1255/4885LMNA 4013/4885

“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.