SCHEMBL4360488

SCHEMBL4360488

COc1ccc(N)cc1CCN(C)C

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.55
HTR2A P28223 1/20 0.54
NOS1 P29475 2/20 0.50
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.49
ADRA1A P35348 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
CYP19A1 P11511 2/20 0.46
KDM4E B2RXH2 1/20 0.45
HTR1A P08908 1/20 0.44
NOS3 P29474 1/20 0.44

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
SCHEMBL6498411 0.90 NOS1 (0.52) AOC3HTR2ANOS1GAAMAPT
SCHEMBL3813395 0.84 SLC6A4 (0.56) AOC3HTR2ANOS1GAAMAPT
SCHEMBL27756766 0.82 TAAR1 (0.70) HTR2AGAAMAPTADRA1ATAAR1
SCHEMBL1555487 0.79 HTR2A (0.63) AOC3HTR2AGAAMAPTTAAR1
SCHEMBL27685404 0.79 MAPT (0.52) AOC3GAAMAPTADRA1ATAAR1
SCHEMBL12006085 0.78 TAAR1 (0.41) HTR2ATAAR1HTR1A
SCHEMBL9688670 0.77 AOC3 (0.50) AOC3HTR2ANOS1HTR1ANOS3
SCHEMBL28324628 0.77 GAA (0.50) HTR2AGAAMAPTADRA1ATAAR1
SCHEMBL6604506 0.76 GAA (0.43) AOC3HTR2AGAAMAPTADRA1A
SCHEMBL8393174 0.76 GAA (0.43) AOC3GAAMAPTADRA1ATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
US-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 US disclosed
EP-1802608-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006040526-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
EP-1638954-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC. (US) 2006-03-29 EP disclosed
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US disclosed
US-20040209892-A1 Heterocyclic compounds and methods of use U.S. PATENT OPERATIONS 2004-10-21 US disclosed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 WO disclosed
EP-1427421-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS Amgen Inc. (US) 2004-06-16 EP disclosed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US disclosed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 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 (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-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 AOC3 4056/4885HTR2A 2286/4885NOS1 407/4885
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use DPYD, TYMP, TPMT AOC3 2029/4885HTR2A 1848/4885NOS1 3698/4885
US-20040209892-A1 Heterocyclic compounds and methods of use VHL, NQO1, HPGDS AOC3 952/4885HTR2A 3297/4885NOS1 353/4885

“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.