SCHEMBL1012109

SCHEMBL1012109

CCOc1cc2c(Cl)ncnc2cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 3/20 1.00
ALDH1A1 P00352 2/20 0.54
SRC P12931 2/20 0.52
FBP1 P09467 2/20 0.49
EGFR P00533 8/20 0.48
MAPK1 P28482 2/20 0.48
KDR P35968 2/20 0.48
FLT1 P17948 1/20 0.48
PDE1B Q01064 1/20 0.47
CSF1R P07333 3/20 0.47
RIPK2 O43353 1/20 0.47
NOD1 Q9Y239 1/20 0.47
KDM4E B2RXH2 1/20 0.46
LCK P06239 1/20 0.46

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
SCHEMBL30591048 1.00 ENPP1 (1.00) ENPP1ALDH1A1SRCFBP1EGFR
SCHEMBL1013282 1.00 ENPP1 (1.00) ENPP1ALDH1A1SRCFBP1EGFR
SCHEMBL1013257 0.94 ENPP1 (0.88) ENPP1ALDH1A1FBP1EGFR
SCHEMBL6160435 0.92 ENPP1 (0.84) ENPP1ALDH1A1SRCEGFRKDR
SCHEMBL364049 0.90 ENPP1 (0.81) ENPP1ALDH1A1SRCFBP1EGFR
SCHEMBL29359187 0.90 ENPP1 (0.81) ENPP1ALDH1A1SRCFBP1EGFR
Hydrochloric Acid SCHEMBL3526531 0.89 ENPP1 (0.79) ENPP1SRCEGFRMAPK1KDR
SCHEMBL31457605 0.88 ENPP1 (0.78) ENPP1ALDH1A1SRCFBP1EGFR
SCHEMBL22441608 0.88 ENPP1 (0.78) ENPP1ALDH1A1SRCFBP1EGFR
SCHEMBL13299050 0.87 ENPP1 (0.86) ENPP1SRCEGFRKDRFLT1

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
US-20240262822-A1 WDR5 INHIBITORS AND MODULATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-08-08 US disclosed
EP-4334305-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2024-03-13 EP disclosed
WO-2022236101-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY (US) 2022-11-10 WO disclosed
US-10053430-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2018-08-21 US disclosed
EP-2268623-B9 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2018-02-28 EP disclosed
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2017-10-19 US disclosed
US-9730937-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2017-08-15 US disclosed
EP-3147281-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2017-03-29 EP disclosed
US-20160199375-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. 2016-07-14 US disclosed
US-9320739-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2016-04-26 US disclosed
US-20120220588-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC 2012-08-30 US disclosed
US-20110118245-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. 2011-05-19 US disclosed
WO-2011056740-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed
WO-2011056740-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed
EP-2268623-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2011-01-05 EP disclosed
WO-2009117080-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATON (US) 2009-09-24 WO disclosed
US-20090233950-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-09-17 US disclosed
EP-1994023-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2008-11-26 EP disclosed
WO-2007099317-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-07 WO disclosed
WO-2006070284-A1 PYRROLIDYL DERIVATIVES OF HETEROAROMATIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS PFIZER PRODUCTS INC. (US) 2006-07-06 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 (7 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-10053430-B2 RAF kinase modulator compounds and methods of use thereof BRAF, RAF1, ARAF ENPP1 1136/4885ALDH1A1 2803/4885SRC 185/4885
US-20110118245-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF ENPP1 2993/4885ALDH1A1 2988/4885SRC 47/4885
US-20160199375-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF ENPP1 1136/4885ALDH1A1 2803/4885SRC 185/4885
US-20240262822-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 ENPP1 2745/4885ALDH1A1 3561/4885SRC 1798/4885
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF ENPP1 1136/4885ALDH1A1 2803/4885SRC 185/4885
US-20120220588-A1 QUINAZOLINE COMPOUNDS NQO2, PRMT7, QDPR ENPP1 4242/4885ALDH1A1 1930/4885SRC 3782/4885
US-20090233950-A1 QUINAZOLINE DERIVATIVES NQO2, CCNI, F12 ENPP1 2724/4885ALDH1A1 1940/4885SRC 1729/4885

“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.