SCHEMBL51544

SCHEMBL51544

[O-][n+]1cncc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
EGFR P00533 1/20 0.34
HSP90AA1 P07900 1/20 0.31
IDO1 P14902 1/20 0.31
CDK2 P24941 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
Hydrochloric Acid SCHEMBL10501335 0.98 ATM (0.40) ATMEGFRHSP90AA1IDO1CDK2
SCHEMBL7657126 0.78 CYP2A6 (0.32)
SCHEMBL14999437 0.74 EGFR (0.34) ATMEGFRRAB9A
SCHEMBL28675792 0.74 EGFR (0.34) ATMEGFRHSP90AA1
SCHEMBL31216375 0.72 CYP1A2 (0.38)
SCHEMBL8541719 0.72 CYP1A2 (0.38)
SCHEMBL1785837 0.72 MEN1 (0.40)
SCHEMBL3854510 0.71 KDM4E (0.37) ATM
SCHEMBL253244 0.70 ATM (0.41) ATMNPC1RAB9A
SCHEMBL7057830 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113321642-A Quinazoline imine compound and application and preparation method thereof 北京鑫开元医药科技有限公司 2021-08-31 CN claimed
EP-3018206-B1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION AS (DK) 2021-08-11 EP claimed
CN-104151255-B A kind of polysubstituted quinazoline imine derivative and preparation method thereof 清华大学 2016-07-13 CN claimed
CN-104151255-A Polysubstituted quinazoline imine derivative and preparation method thereof UNIV TSINGHUA 2014-11-19 CN claimed
US-8569350-B2 Anti-mitotic anti-proliferative compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-10-29 US claimed
US-20120149744-A1 ANTI-MITOTIC ANTI-PROLIFERATIVE COMPOUNDS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-06-14 US claimed
US-8143299-B2 Anti-mitotic anti-proliferative compounds UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-27 US claimed
EP-1673663-B1 LIGHT SENSITIVE COATING COMPOSITIONS FOR LITHOGRAPHIC ELEMENTS IBF IND BRASILEIRA DE FILMES SA (BR) 2011-03-23 EP claimed
US-20090317440-A1 ANTI-MITOTIC ANTI-PROLIFERATIVE COMPOUNDS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2009-12-24 US claimed
EP-1817028-A2 ANTI-MITOTIC ANTI-PROLIFERATIVE COMPOUNDS University of Medicine and Dentistry of New Jersey (US) 2007-08-15 EP claimed
EP-1117659-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS American Cyanamid Company (US) 2001-07-25 EP claimed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 WO claimed
US-6110922-A ARYL SULFIDE CONTAINING PENDANT CIS- OR TRANS-CINNAMIDE GROUPS ABBOTT LABORATORIES (US) 2000-08-29 US claimed
WO-2000039081-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-07-06 WO claimed
EP-1000060-A1 NOVEL COMPOUNDS AstraZeneca UK Limited (GB) 2000-05-17 EP claimed
WO-2000018761-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-04-06 WO claimed
WO-1999002528-A1 NOVEL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1999-01-21 WO claimed
US-5714493-A ANTIINFLAMMATORY AGENT RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1998-02-03 US claimed
EP-0677516-A1 Cyclic amide derivatives Eisai Co., Ltd. (JP) 1995-10-18 EP claimed
EP-0468187-A2 Cyclic amide derivatives Eisai Co., Ltd. (JP) 1992-01-29 EP 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 (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-20090317440-A1 ANTI-MITOTIC ANTI-PROLIFERATIVE COMPOUNDS MKI67, PCNA, CCNB2 ATM 936/4885EGFR 3418/4885HSP90AA1 2057/4885
US-20120149744-A1 ANTI-MITOTIC ANTI-PROLIFERATIVE COMPOUNDS MKI67, PCNA, CCNB2 ATM 936/4885EGFR 3418/4885HSP90AA1 2057/4885

“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.