SCHEMBL4036712

SCHEMBL4036712

Nc1ccc2[nH]cc(Br)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.57
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HTR2A P28223 2/20 0.43
TRPM8 Q7Z2W7 2/20 0.43
PIM1 P11309 2/20 0.42
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
HASPIN Q8TF76 1/20 0.42
CLK1 P49759 2/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41

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
SCHEMBL28207416 0.78 GPR84 (0.62) HTR1DHTR1BHTR2ATRPM8PIM1
SCHEMBL8628537 0.78 HPGD (0.49) EGFRHPGDCYP2C19HTR1DHTR1B
SCHEMBL13302419 0.77 CLK1 (0.56) EGFRHTR2ATRPM8PIM1CLK1
SCHEMBL3301509 0.75 HPGD (0.46) EGFRHPGDCYP2C19HTR1DHTR1B
SCHEMBL21623874 0.75 HPGD (0.50) HPGDCYP2C19HTR1DHTR1BHTR2A
SCHEMBL3780100 0.75 GPR84 (0.58) HTR2ATRPM8TUBB4ATUBBTUBA3C
SCHEMBL15554430 0.75 MPO (0.47) HPGDCYP2C19HTR1DHTR1BHTR2A
SCHEMBL3116936 0.75 ATM (0.52) EGFRHPGDCYP2C19HTR1DHTR1B
SCHEMBL14149493 0.75 HTR1D (0.51) HTR1DHTR1BHTR2APIM1CCNT1
SCHEMBL5197534 0.75 HTR2C (0.53) HPGDCYP2C19HTR1DHTR1BHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444211-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-01-21 EP disclosed
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 US disclosed
CN-1764651-A Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2006-04-26 CN disclosed
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 US disclosed
EP-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 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 (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-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 EGFR 4/4885HPGD 1726/4885CYP2C19 537/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 EGFR 2/4885HPGD 1767/4885CYP2C19 870/4885

“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.