SCHEMBL1817696

SCHEMBL1817696

COC(=O)Nc1ccc(F)c(C=O)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
HPGD P15428 1/20 0.45
ALDH1A1 P00352 2/20 0.43
CYP2D6 P10635 1/20 0.43
EPHX2 P34913 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
NPC1 O15118 2/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
PKM P14618 3/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 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
SCHEMBL416613 0.85 CYP2C9 (0.45) CYP2C9CYP3A4CYP2C19ALDH1A1CYP2D6
SCHEMBL28831967 0.81 ALDH1A1 (0.50) CYP2C9CYP3A4CYP2C19ALDH1A1CYP2D6
SCHEMBL3022956 0.78 HPGD (0.49) HPGDALDH1A1EPHX2SMN1; SMN2HTT
SCHEMBL285694 0.78 NPC1 (0.52) SMN1; SMN2NPC1POLBRAB9ALMNA
SCHEMBL3021362 0.75 FABP4 (0.47) CYP2C9HPGDALDH1A1EPHX2SMN1; SMN2
SCHEMBL2559704 0.74 HPGD (0.49) CYP3A4CYP2C19HPGDALDH1A1SMN1; SMN2
SCHEMBL15249607 0.74 SMN1; SMN2 (0.47) CYP2C9HPGDALDH1A1EPHX2SMN1; SMN2
SCHEMBL13944691 0.73 HPGD (0.47) HPGDALDH1A1EPHX2SMN1; SMN2HTT
SCHEMBL29955329 0.73 CYP17A1 (0.42) CYP2C9CYP3A4CYP2C19ALDH1A1EPHX2
SCHEMBL21416819 0.73 RAB9A (0.50) CYP2C9CYP3A4CYP2C19HPGDALDH1A1

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
US-10421761-B2 Compounds for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2019-09-24 US disclosed
US-10421761-B2 Compounds for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2019-09-24 US disclosed
US-20180099975-A1 COMPOUNDS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-04-12 US disclosed
US-20180099975-A1 COMPOUNDS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-04-12 US disclosed
US-9873700-B2 Compounds for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2018-01-23 US disclosed
US-9873700-B2 Compounds for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2018-01-23 US disclosed
US-9617267-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-04-11 US disclosed
EP-2501236-B1 N-[2-fluoro-3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-4-benzenesulfonamide derivatives as Raf protein kinase modulators for the treatment of cancer PLEXXIKON INC (US) 2017-03-29 EP disclosed
US-9440969-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-09-13 US disclosed
US-9440969-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-09-13 US disclosed
US-8673928-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-03-18 US disclosed
EP-2516438-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2012-10-31 EP disclosed
EP-2501236-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2012-09-26 EP disclosed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 US disclosed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 US disclosed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 US disclosed
WO-2011079133-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-06-30 WO disclosed
WO-2011079133-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-06-30 WO disclosed
US-20110152258-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON INC. 2011-06-23 US disclosed
WO-2011063159-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-05-26 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 (4 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-20110152258-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, KRAS, RAF1 CYP2C9 2207/4885CYP3A4 2604/4885CYP2C19 2391/4885
US-10421761-B2 Compounds for kinase modulation, and indications therefor MAP3K20, MAP3K13, MAP3K8 CYP2C9 4724/4885CYP3A4 4658/4885CYP2C19 4598/4885
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, NRAS CYP2C9 2483/4885CYP3A4 2226/4885CYP2C19 2453/4885
US-20180099975-A1 COMPOUNDS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP2C9 4724/4885CYP3A4 4658/4885CYP2C19 4598/4885

“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.