SCHEMBL1013250

SCHEMBL1013250

Nc1cc(C(=O)N2CCOCC2)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.52
KDM4E B2RXH2 1/20 0.51
MLYCD O95822 1/20 0.51
KCNH2 Q12809 2/20 0.51
POLB P06746 2/20 0.49
HIF1A Q16665 2/20 0.49
CYP3A4 P08684 3/20 0.47
TSHR P16473 2/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CASP1 P29466 1/20 0.47
HTT P42858 1/20 0.47
CASP7 P55210 1/20 0.47
USP2 O75604 1/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
AKR1C3 P42330 1/20 0.45

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
SCHEMBL30584223 1.00 EPHX2 (0.52) EPHX2KDM4EMLYCDKCNH2POLB
SCHEMBL30691979 0.90 HIF1A (0.58) EPHX2MLYCDPOLBHIF1ACYP3A4
SCHEMBL13243072 0.87 KDM4E (0.70) KDM4EMLYCDPOLBHIF1ACYP3A4
SCHEMBL4929358 0.87 KDM4E (0.65) KDM4EPOLBHIF1ACYP3A4TSHR
SCHEMBL15695610 0.85 KDM4E (0.65) KDM4EPOLBTSHRHPGDSMN1; SMN2
SCHEMBL24554590 0.84 EPHX2 (0.53) EPHX2MLYCDKCNH2POLBHIF1A
SCHEMBL14733308 0.83 KDM4E (0.62) KDM4EPOLBTSHRHPGDSMN1; SMN2
SCHEMBL11916143 0.83 HIF1A (0.56) EPHX2MLYCDPOLBHIF1ACYP3A4
SCHEMBL13219880 0.83 KDM4E (0.51) KDM4EPOLBHIF1ACYP3A4TSHR
SCHEMBL15219384 0.83 HIF1A (0.52) EPHX2KDM4EMLYCDPOLBHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116829548-A Pyrazole derivatives as C-ABL inhibitors 博善人工智能生物科技有限公司 2023-09-29 CN disclosed
US-11530193-B2 Kinase inhibitors THE UNIVERSITY OF MANCHESTER (GB) 2022-12-20 US disclosed
WO-2022140527-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed
WO-2022129915-A1 PYRAZOLE DERIVATIVES AS C-ABL INHIBITORS BENEVOLENTAI BIO LIMITED (GB) 2022-06-23 WO disclosed
EP-3793996-A1 KINASE INHIBITORS The University of Manchester (GB) 2021-03-24 EP 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-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-8618289-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2013-12-31 US disclosed
US-20110118245-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. 2011-05-19 US disclosed
EP-2268623-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2011-01-05 EP disclosed
EP-1904494-B1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS LILLY CO ELI (US) 2010-12-01 EP disclosed
US-7666879-B2 Imidazo[1,2-A]pyridine compounds as VEGF-R2 inhibitors ELI LILLY AND COMPANY (US) 2010-02-23 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
US-20090227622-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS ELI LILLY AND COMPANY 2009-09-10 US disclosed
US-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
EP-1904494-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS ELI LILLY AND COMPANY (US) 2008-04-02 EP disclosed
WO-2006091671-A1 IMIDAZO (1, 2-A) PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS ELI LILLY AND COMPANY (US) 2006-08-31 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 (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 EPHX2 1933/4885KDM4E 1824/4885MLYCD 2416/4885
US-20110118245-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF EPHX2 2132/4885KDM4E 2179/4885MLYCD 4166/4885
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF EPHX2 1933/4885KDM4E 1824/4885MLYCD 2416/4885
US-11530193-B2 Kinase inhibitors CAMKK2, CAMK1, CAMKK1 EPHX2 4481/4885KDM4E 1899/4885MLYCD 576/4885
US-20090227622-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS KDR, FLT1, FLT4 EPHX2 2271/4885KDM4E 1735/4885MLYCD 4737/4885
US-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TIE1, KDR, FLT1 EPHX2 397/4885KDM4E 229/4885MLYCD 4643/4885

“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.