SCHEMBL8932196

SCHEMBL8932196

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

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.60
PGK1 P00558 1/20 0.48
LMNA P02545 2/20 0.46
GALR2 O43603 1/20 0.46
POLB P06746 1/20 0.46
ABCG2 Q9UNQ0 2/20 0.44
MAP4K4 O95819 1/20 0.43
FBP1 P09467 1/20 0.42
VCAM1 P19320 1/20 0.41
PDGFRB P09619 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
SCHEMBL12626671 0.86 EGFR (0.60) EGFRPGK1LMNAABCG2FBP1
SCHEMBL8932207 0.84 EGFR (0.50) EGFRLMNAGALR2POLBABCG2
SCHEMBL15929508 0.83 EGFR (0.49) EGFRLMNAGALR2POLBABCG2
SCHEMBL30275314 0.82 EGFR (0.54) EGFRPGK1LMNAVCAM1PDGFRB
SCHEMBL1469486 0.82 EGFR (0.54) EGFRPGK1LMNAVCAM1PDGFRB
SCHEMBL7466349 0.81 EGFR (0.67) EGFRABCG2
SCHEMBL8932198 0.81 EGFR (0.64) EGFRLMNAGALR2POLBABCG2
SCHEMBL7802761 0.79 EGFR (0.72) EGFRABCG2FBP1
SCHEMBL7465009 0.78 HTT (0.57) EGFRPGK1LMNA
SCHEMBL7461665 0.78 USP10 (0.59) EGFRLMNA

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 8 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-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-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
US-7960546-B2 Process for preparing aminocrotonylamino-substituted quinazoline derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-14 US disclosed
US-20090306378-A1 PROCESS FOR PREPARING AMINOCROTONYLAMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-10 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-20110207932-A1 Process for preparing aminocrotonylamino-substituted quinazoline derivatives EGFR, CNKSR1, ERBB2 EGFR 1/4885PGK1 1202/4885LMNA 4013/4885
US-20090306378-A1 PROCESS FOR PREPARING AMINOCROTONYLAMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES EGFR, CNKSR1, ERBB2 EGFR 1/4885PGK1 1049/4885LMNA 3779/4885
US-20110207929-A1 Process for preparing aminocrotonylamino-substituted quinazoline derivatives EGFR, CNKSR1, ERBB2 EGFR 1/4885PGK1 1202/4885LMNA 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.