SCHEMBL1014233

SCHEMBL1014233

CC(C)(C#N)c1cc(NC(=O)Oc2ccccc2)on1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.47
BRAF P15056 1/20 0.47
CNR1 P21554 3/20 0.45
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.40
RAF1 P04049 1/20 0.39
IDO1 P14902 1/20 0.39
MAPK14 Q16539 2/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CDK5 Q00535 1/20 0.39
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL1013171 0.86 ALDH1A1 (0.56) CNR2BRAFALDH1A1MAPTMEN1
SCHEMBL1012827 0.85 MAPK14 (0.45) BRAFALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL1012497 0.84 RAF1 (0.45) BRAFALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL23966924 0.82 BRAF (0.47) BRAFALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL1011942 0.82 CNR2 (0.47) CNR2CNR1ALDH1A1MAPTMEN1
SCHEMBL1012016 0.81 EPHX2 (0.48) BRAFALDH1A1MAPTMEN1KMT2A
SCHEMBL1013308 0.81 RAF1 (0.47) BRAFALDH1A1MAPTMEN1KMT2A
SCHEMBL1011650 0.80 CNR2 (0.50) CNR2BRAFCNR1ALDH1A1MAPT
SCHEMBL17732309 0.80 RAF1 (0.49) BRAFALDH1A1MAPTMEN1KMT2A
SCHEMBL23966769 0.77 MAPK14 (0.40) CNR2BRAFCNR1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12091413-B2 Inhibitors of NEK7 kinase Halia Therapeutics, Inc. (US) 2024-09-17 US disclosed
EP-4146348-B1 INHIBITORS OF NEK7 KINASE HALIA THERAPEUTICS INC (US) 2024-07-03 EP disclosed
US-20230416259-A1 INHIBITORS OF NEK7 KINASE HALIA THERAPEUTICS INC (US) 2023-12-28 US disclosed
US-11713321-B2 Inhibitors of NEK7 kinase Halia Therapeutics, Inc. (US) 2023-08-01 US disclosed
US-11713321-B2 Inhibitors of NEK7 kinase Halia Therapeutics, Inc. (US) 2023-08-01 US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 US disclosed
US-20230203045-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. 2023-06-29 US disclosed
US-20230203045-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. 2023-06-29 US disclosed
EP-4161933-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. (US) 2023-04-12 EP 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
EP-2268623-B1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2015-05-06 EP disclosed
US-8969587-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2015-03-03 US disclosed
US-20140045868-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2014-02-13 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
WO-2009117080-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATON (US) 2009-09-24 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 (8 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-20110118245-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF CNR2 3219/4885BRAF 1/4885CNR1 2528/4885
US-20230203045-A1 INHIBITORS OF NEK7 KINASE NEK7, NEK1, NEK5 CNR2 3192/4885BRAF 507/4885CNR1 2317/4885
US-11713321-B2 Inhibitors of NEK7 kinase NEK7, NEK1, NEK5 CNR2 3084/4885BRAF 578/4885CNR1 2194/4885
US-12091413-B2 Inhibitors of NEK7 kinase NEK7, NEK1, NEK5 CNR2 3084/4885BRAF 578/4885CNR1 2194/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 CNR2 4544/4885BRAF 1615/4885CNR1 4436/4885
US-20150246042-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF CNR2 2910/4885BRAF 1/4885CNR1 2814/4885
US-20230416259-A1 INHIBITORS OF NEK7 KINASE NEK7, NEK1, NEK5 CNR2 3084/4885BRAF 578/4885CNR1 2194/4885
US-20140045868-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF CNR2 2910/4885BRAF 1/4885CNR1 2814/4885

“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.