SCHEMBL1855669

SCHEMBL1855669

O=c1ncc2cc(Br)ccc2n1CCN1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.51
ALOX15 P16050 1/20 0.51
EGFR P00533 2/20 0.43
CNR1 P21554 2/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 2/20 0.41
CNR2 P34972 1/20 0.41
LMNA P02545 1/20 0.40
MPI P34949 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL17422848 0.76 MAPK1 (0.52) MAPK1ALOX15ALDH1A1MAPTHTT
SCHEMBL29804080 0.76 EGFR (0.56) MAPK1ALOX15EGFRALDH1A1MAPT
SCHEMBL110445 0.76 EGFR (0.56) MAPK1ALOX15EGFRALDH1A1MAPT
SCHEMBL29094004 0.76 ADORA2A (0.36) CNR1ALDH1A1MAPTHTTCNR2
SCHEMBL17678308 0.73 EGFR (0.58) MAPK1ALOX15EGFRTSHRLMNA
SCHEMBL18731523 0.73 ALOX15 (0.51) MAPK1ALOX15CNR1ALDH1A1MAPT
SCHEMBL4040939 0.72 HTR7 (0.50) MAPK1ALOX15CNR1ALDH1A1MAPT
SCHEMBL17673722 0.71 EGFR (0.56) MAPK1ALOX15EGFRALDH1A1MAPT
SCHEMBL15837038 0.71 ALOX15 (0.54) MAPK1ALOX15ALDH1A1MAPTHTT
SCHEMBL24002834 0.71 ALOX15 (0.55) MAPK1ALOX15ALDH1A1MAPTTSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049503-B1 QUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES AS P38 KINASE INHIBITORS AMGEN INC (US) 2012-12-19 EP disclosed
US-7935709-B2 2-quinazolinone compounds and methods of use AMGEN INC. (US) 2011-05-03 US disclosed
EP-2049503-A1 QUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES AS P38 KINASE INHIBITORS Amgen Inc. (US) 2009-04-22 EP disclosed
US-20080032973-A1 2-Quinazolinone compounds and methods of use AMGEN INC. (US) 2008-02-07 US disclosed
WO-2008011032-A1 QUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES AS P38 KINASE INHIBITORS AMGEN INC. (US) 2008-01-24 WO 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-20080032973-A1 2-Quinazolinone compounds and methods of use MAP3K1, MAP3K2, MAP3K7 MAPK1 62/4885ALOX15 1437/4885EGFR 2122/4885

“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.