SCHEMBL297710

SCHEMBL297710

CS(=O)(=O)N1CCN(CCCO)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
KDM1A O60341 1/20 0.42
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTGS2 P35354 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP2D6 P10635 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 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
SCHEMBL4508388 0.94 HRH2 (0.42) HRH2HRH1KDM1AALDH1A1KDM4E
SCHEMBL1098209 0.88 ALDH1A1 (0.51) HRH2HRH1KDM1AALDH1A1KDM4E
SCHEMBL4363932 0.84 SMN1; SMN2 (0.43) ALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL1100792 0.82 KDM1A (0.43) HRH2HRH1KDM1AALDH1A1KDM4E
SCHEMBL14670865 0.82 PTGS2 (0.54) HRH2HRH1KDM1AKDM4ETDP1
SCHEMBL10554722 0.82 ALDH1A1 (0.42) HRH1ALDH1A1KDM4EHRH3SMN1; SMN2
Sulfuric Acid SCHEMBL28081786 0.81 ALDH1A1 (0.38) ALDH1A1KDM4EHRH3SMN1; SMN2MEN1
SCHEMBL3975713 0.80 KEAP1 (0.45) HRH2HRH1KDM1AKDM4EPTGS2
SCHEMBL20376410 0.80 HRH2 (0.52) HRH2HRH1KDM1AKDM4ETDP1
SCHEMBL4508386 0.80 KDM1A (0.42) HRH2HRH1KDM1AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802591-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-01-11 EP claimed
EP-2215085-B1 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-09-07 EP claimed
US-20090233924-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-09-17 US claimed
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 ASTRAZENECA AB (SE) 2009-05-07 US claimed
US-7501516-B2 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2009-03-10 US claimed
US-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 US claimed
EP-1562955-B1 QUINAZOLINE DERIVATIVES AS SRC TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2008-02-27 EP claimed
US-20070213367-A1 Substituted 3-cyanoquinolines as MEK inhibitors ASTRAZENECA AB 2007-09-13 US claimed
US-20070191346-A1 3-Cyano-quinoline derivatives ASTRAZENECA AB 2007-08-16 US claimed
EP-1802608-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER AstraZeneca AB (SE) 2007-07-04 EP claimed
WO-2004069827-A1 QUINOLINE DERIVATIVES AND USE THEREOF AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2004-08-19 WO claimed
WO-2004041811-A1 3-CYANO-QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2004-05-21 WO claimed
WO-2004041829-A1 QUINAZOLINE DERIVATIVES AS SRC TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2004-05-21 WO claimed
EP-1409481-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS Astrazeneca AB (SE) 2004-04-21 EP claimed
WO-2004005284-A1 SUBSTITUTED 3-CYANOQUINOLINES AS MEK INHIBITORS ASTRAZENECA AB (SE) 2004-01-15 WO claimed
WO-2003047585-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING BENZOFURANYL SUBSTITUTED 3-CYANOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SOLID TUMOURS ASTRAZENECA AB (SE) 2003-06-12 WO claimed
WO-2003047584-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2003-06-12 WO claimed
WO-2003047582-A1 QUINOLINE DERIVATIVES AS ANTITUMOUR AGENTS ASTRAZENECA AB (SE) 2003-06-12 WO claimed
WO-2003048159-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2003-06-12 WO claimed
WO-2003008409-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2003-01-30 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20070213367-A1 Substituted 3-cyanoquinolines as MEK inhibitors NRAS, BRAF, MAPK1 HRH2 1619/4885HRH1 1278/4885KDM1A 509/4885
US-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 HRH2 356/4885HRH1 330/4885KDM1A 1715/4885
US-20090233924-A1 Quinazoline derivatives AQP1, PGF, F12 HRH2 375/4885HRH1 218/4885KDM1A 2179/4885
US-20070191346-A1 3-Cyano-quinoline derivatives MKI67, CCNA1, CCNT1 HRH2 2073/4885HRH1 1661/4885KDM1A 1107/4885
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 MKI67, CCND3, CCND1 HRH2 553/4885HRH1 863/4885KDM1A 1739/4885

“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.