SCHEMBL737948

SCHEMBL737948

C#Cc1ccc2ncncc2c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.55
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
FGFR4 P22455 1/20 0.40
TDO2 P48775 1/20 0.39
AR P10275 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PARP1 P09874 1/20 0.36
MAP3K14 Q99558 1/20 0.35

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
SCHEMBL738516 0.85 EGFR (0.55) EGFRPIK3CDPIK3CATDO2
SCHEMBL30853054 0.81 EGFR (0.55) EGFRPIK3CDPIK3CAFGFR4TDO2
SCHEMBL2011007 0.81 EGFR (0.55) EGFRPIK3CDPIK3CAFGFR4TDO2
SCHEMBL30618089 0.81 EGFR (0.55) EGFRPIK3CDPIK3CAFGFR4TDO2
SCHEMBL3393275 0.81 EGFR (0.55) EGFRPIK3CDPIK3CAFGFR4TDO2
SCHEMBL27788810 0.80 EGFR (0.53) EGFRPIK3CDPIK3CAFGFR4TDO2
Hydrochloric Acid SCHEMBL30376208 0.80 EGFR (0.53) EGFRPIK3CDPIK3CAFGFR4TDO2
SCHEMBL27856310 0.78 HDAC8 (0.43) EGFRPIK3CDPIK3CATDO2ALDH1A1
SCHEMBL7959593 0.75 EGFR (0.51) EGFRPIK3CDPIK3CAFGFR4ALDH1A1
SCHEMBL8644295 0.74 PIK3CA (0.73) EGFRPIK3CDPIK3CAFGFR4TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114230557-B Quinazoline-substituted 1,2,3-triazole derivative, and pharmaceutical composition, preparation method and application thereof 深圳大学 2023-01-06 CN disclosed
CN-114230557-A Quinazoline-substituted 1,2, 3-triazole derivative, and pharmaceutical composition, preparation method and application thereof 深圳大学 2022-03-25 CN disclosed
EP-3448839-B1 QUINAZOLINE DERIVATIVE OR ITS SALT AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME YUHAN CORP (KR) 2022-02-09 EP disclosed
EP-1847545-B1 SUBSTITUTED ETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME UBE INDUSTRIES (JP) 2013-03-06 EP disclosed
CN-101111499-B Substituted ethynyl gold-nitrogen-containing heterocyclic carbene complex and organic electroluminescent device using the same UBE INDUSTRIES 2012-05-23 CN disclosed
US-8137821-B2 Substituted ethynyl gold-nitrogen containing heterocyclic carbene complex and organic electroluminescent device using the same UBE INDUSTRIES, LTD. (JP) 2012-03-20 US disclosed
US-20090091243-A1 Substituted Ethynyl Gold-Nitrogen Containing Heterocyclic Carbene Complex and Organic Electroluminescent Device Using the Same UBE INDUSTRIES, LTD. (JP) 2009-04-09 US disclosed
CN-101111499-A Substituted ethynyl gold-nitrogenated heterocyclic carbene complex and organic electroluminescent device using same UBE INDUSTRIES (JP) 2008-01-23 CN disclosed
EP-1847545-A1 SUBSTITUTED ETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME Ube Industries, Ltd. (JP) 2007-10-24 EP disclosed
WO-1999059584-A1 COMBINATION OF PHENTOLAMINE AND CYCLIC GMP PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION SCHERING CORPORATION (US) 1999-11-25 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-20090091243-A1 Substituted Ethynyl Gold-Nitrogen Containing Heterocyclic Carbene Complex and Organic Electroluminescent Device Using the Same ACSL3, ATXN2L, ACSL1 EGFR 491/4885PIK3CD 4563/4885PIK3CA 4702/4885

“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.