SCHEMBL1013586

SCHEMBL1013586

COc1cc2nc[nH]c(=O)c2cc1OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 4/20 0.62
CTSV O60911 2/20 0.54
CTSL P07711 2/20 0.54
ELANE P08246 1/20 0.54
KDM1A O60341 1/20 0.53
IP6K3 Q96PC2 1/20 0.52
IP6K2 Q9UHH9 1/20 0.52
EGFR P00533 4/20 0.50
IRAK1 P51617 1/20 0.49
IRAK4 Q9NWZ3 1/20 0.49
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
SRC P12931 1/20 0.48
KDR P35968 1/20 0.48
PDPK1 O15530 1/20 0.48
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
LCK P06239 1/20 0.47

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
SCHEMBL156504 1.00 IP6K1 (0.62) IP6K1CTSVCTSLELANEKDM1A
Hydrochloric Acid SCHEMBL27988350 0.99 IP6K1 (0.60) IP6K1CTSVCTSLELANEKDM1A
SCHEMBL20897397 0.94 IP6K1 (0.69) IP6K1CTSVCTSLELANEIP6K3
SCHEMBL1781759 0.92 IP6K1 (0.58) IP6K1CTSVCTSLELANEKDM1A
SCHEMBL7206263 0.89 KDR (0.50) IP6K1CTSVCTSLELANEKDM1A
SCHEMBL14520678 0.86 IP6K1 (0.63) IP6K1IP6K3IP6K2LMNAHTT
SCHEMBL4226040 0.86 IP6K1 (0.57) IP6K1CTSVCTSLELANEKDM1A
SCHEMBL3528857 0.85 KDM1A (0.53) IP6K1CTSVCTSLELANEKDM1A
SCHEMBL8917 0.84 SRC (0.63) IP6K1IP6K3IP6K2EGFRKDM4E
SCHEMBL17165598 0.84 IP6K1 (0.63) IP6K1CTSVCTSLKDM1AIP6K3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-9617227-B2 Process of preparing a quinazoline derivative SCINOPHARM (CHANGSHU) PHARMACEUTICALS, LTD. (CN) 2017-04-11 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
EP-2947072-A1 1-(3-(6,7-DIMETHOXYQUINAZOLIN-4-YLOXY)PHENYL)-3-(5-(1,1,1-TRIFLUORO-2-METHYLPROPAN-2-YL)ISOXAZOL-3-YL)UREA AS RAF KINASE MODULATOR IN THE TREATMENT OF CANCER DISEASES Ambit Biosciences Corporation (US) 2015-11-25 EP disclosed
US-20150246042-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2015-09-03 US disclosed
WO-2009117080-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATON (US) 2009-09-24 WO disclosed
WO-2008020302-A2 HETEROAROMATIC QUINOLINE-BASED COMPOUNDS AS PHOSPHODIESTERASE (PDE) INHIBITORS PFIZER PRODUCTS INC. (US) 2008-02-21 WO disclosed
EP-1384712-B1 Derivatives of N-((quinolinyl)oxy)-phenyl)-urea and N-((quinazolinyl)oxy)-phenyl)-urea with antitumor activity KIRIN BREWERY (JP) 2007-03-07 EP disclosed
US-20070027318-A1 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2007-02-01 US disclosed
US-7169789-B2 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2007-01-30 US disclosed
US-20040209905-A1 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2004-10-21 US disclosed
US-6797823-B1 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2004-09-28 US disclosed
EP-1384712-A1 Derivatives of N-((quinolinyl)oxy)-phenyl)-urea and N-((quinazolinyl)oxy)-phenyl)-urea with antitumor activity KIRIN BEER KABUSHIKI KAISHA (JP) 2004-01-28 EP disclosed
EP-1153920-B1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES KIRIN BREWERY (JP) 2003-10-29 EP disclosed
EP-1153920-A1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES KIRIN BEER KABUSHIKI KAISHA (JP) 2001-11-14 EP 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 (6 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 IP6K1 267/4885CTSV 4047/4885CTSL 4275/4885
US-20160199375-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF IP6K1 267/4885CTSV 4047/4885CTSL 4275/4885
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF IP6K1 267/4885CTSV 4047/4885CTSL 4275/4885
US-20070027318-A1 Quinoline derivatives and quinazoline derivatives CYTH3, NQO2, NRAS IP6K1 2604/4885CTSV 98/4885CTSL 12/4885
US-20150246042-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF IP6K1 267/4885CTSV 4047/4885CTSL 4275/4885
US-20040209905-A1 Quinoline derivatives and quinazoline derivatives RABL3, NRAS, CYTH3 IP6K1 1985/4885CTSV 97/4885CTSL 5/4885

“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.