SCHEMBL3429567

SCHEMBL3429567

OCCN1CCCC1CO

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 7/20 0.47
SPHK1 Q9NYA1 7/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HRH3 Q9Y5N1 4/20 0.39
PARP1 P09874 1/20 0.38
TERT O14746 2/20 0.38
ESR1 P03372 1/20 0.36
ESRRG P62508 1/20 0.36
HTT P42858 1/20 0.36
AGL P35573 1/20 0.36
CHRM1 P11229 1/20 0.36
HTR2A P28223 1/20 0.36
MCHR1 Q99705 1/20 0.36

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
SCHEMBL3431942 1.00 SPHK2 (0.47) SPHK2SPHK1POLBL3MBTL1HRH3
SCHEMBL3427098 1.00 SPHK2 (0.47) SPHK2SPHK1POLBL3MBTL1HRH3
SCHEMBL3426506 0.93 SPHK2 (0.43) SPHK2SPHK1POLBL3MBTL1HRH3
SCHEMBL3429334 0.87 SPHK2 (0.49) SPHK2SPHK1POLBL3MBTL1HRH3
SCHEMBL3425937 0.87 SPHK2 (0.49) SPHK2SPHK1POLBL3MBTL1HRH3
SCHEMBL3427378 0.87 SPHK2 (0.49) SPHK2SPHK1POLBL3MBTL1HRH3
SCHEMBL4295783 0.85 SPHK2 (0.48) SPHK2SPHK1POLBL3MBTL1HRH3
SCHEMBL4026383 0.85 SPHK2 (0.48) SPHK2SPHK1POLBL3MBTL1HRH3
SCHEMBL6636120 0.84 S1PR1 (0.41) SPHK2SPHK1POLBL3MBTL1TERT
SCHEMBL10867079 0.84 SPHK2 (0.45) SPHK2SPHK1POLBL3MBTL1HRH3

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1463506-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES ASTRAZENECA AB (SE) 2009-10-21 EP claimed
EP-1528925-B1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-04-22 EP claimed
US-7504408-B2 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2009-03-17 US claimed
US-20080306096-A1 Quinazoline Derivatives, Process for Their Preparation and Their Use as Anti-Cancer Agents ASTRAZENECA AB (SE) 2008-12-11 US claimed
EP-1966159-A2 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2008-09-10 EP claimed
US-7402585-B2 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2008-07-22 US claimed
EP-1613619-B1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-03-26 EP claimed
WO-2007071963-A2 QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2007-06-28 WO claimed
US-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2005-11-10 US claimed
EP-1528925-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2005-05-11 EP claimed
WO-2004004732-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2004-01-15 WO claimed
US-10197930-B2 Electrophotographic member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2019-02-05 US disclosed
US-10197930-B2 Electrophotographic member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2019-02-05 US disclosed
US-20170060007-A1 ELECTROPHOTOGRAPHIC MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2017-03-02 US disclosed
US-20170060007-A1 ELECTROPHOTOGRAPHIC MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2017-03-02 US disclosed
US-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2005-11-10 US disclosed
EP-1528925-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2005-05-11 EP disclosed
US-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2005-03-31 US disclosed
WO-2004094410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-04 WO disclosed
WO-2004004732-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2004-01-15 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 (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-20080306096-A1 Quinazoline Derivatives, Process for Their Preparation and Their Use as Anti-Cancer Agents BRAF, RAF1, NRAS SPHK2 2628/4885SPHK1 2259/4885POLB 1580/4885
US-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases AURKC, AURKA, AURKB SPHK2 743/4885SPHK1 802/4885POLB 1003/4885
US-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer TPD52L2, NQO2, CCNI SPHK2 4081/4885SPHK1 4306/4885POLB 1077/4885

“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.