SCHEMBL4201771

SCHEMBL4201771

N#Cc1ccccc1Cn1ccc2cc(N)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 2/20 0.48
HTR6 P50406 1/20 0.44
CYP19A1 P11511 1/20 0.43
APP P05067 2/20 0.41
PLAU P00749 1/20 0.41
GALR3 O60755 1/20 0.41
RAB9A P51151 1/20 0.41
PRKCI P41743 1/20 0.40
TSHR P16473 3/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 1/20 0.39
NOX4 Q9NPH5 1/20 0.38
BRD4 O60885 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL6087730 0.83 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPTHTR6CYP19A1
SCHEMBL28563201 0.80 PPARG (0.48) ALDH1A1SMN1; SMN2MAPTAPPGALR3
SCHEMBL4203247 0.79 PLG (0.49) ALDH1A1SMN1; SMN2MAPTPLAUGALR3
SCHEMBL17044154 0.78 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTCYP19A1GALR3
SCHEMBL3376353 0.76 NPBWR1 (0.42) ALDH1A1SMN1; SMN2MAPTCYP19A1NOX4
SCHEMBL28573940 0.76 HDAC8 (0.46) ALDH1A1SMN1; SMN2GALR3RAB9ATSHR
SCHEMBL30241534 0.75 HTR6 (0.66) HTR6APPPLAUPRKCI
SCHEMBL2769024 0.75 HTR6 (0.66) HTR6APPPLAUPRKCI
SCHEMBL17044148 0.75 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTCYP19A1GALR3
SCHEMBL30364718 0.75 PLAU (0.54) HTR6CYP19A1APPPLAUADORA2A

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-20090239861-A1 QUINAZOLINE DERIVATIVES AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-09-24 US disclosed
CN-101365695-A Quinazoline derivatives as anticancer agents ASTRAZENECA AB (SE) 2009-02-11 CN disclosed
EP-1940825-A1 QUINAZOLINE DERIVATIVES AS ANTICANCER AGENTS Astra Zeneca AB (SE) 2008-07-09 EP disclosed
WO-2007034143-A1 QUINAZOLINE DERIVATIVES AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2007-03-29 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-20090239861-A1 QUINAZOLINE DERIVATIVES AS ANTICANCER AGENTS ABL1, ERBB2, CDK2 ALDH1A1 2014/4885SMN1; SMN2 3534/4885MAPT 3072/4885

“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.