SCHEMBL1012946

SCHEMBL1012946

CC(C)(F)c1cc(N)on1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
MAPK14 Q16539 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31

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
SCHEMBL1012674 0.87 BRD4 (0.33) ALDH1A1KDM4EMAPTBLMHSP90AA1
SCHEMBL24410810 0.83 KDM4E (0.31) ALDH1A1KDM4EMAPTBLM
SCHEMBL1083433 0.83 KDM4E (0.31) ALDH1A1KDM4EMAPTBLM
SCHEMBL573342 0.82 CA2 (0.40) ALDH1A1KDM4EMAPTBLMHSP90AA1
SCHEMBL431491 0.82 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTBLMMAPK14
SCHEMBL17796648 0.78 CYP1A2 (0.38) ALDH1A1KDM4EMAPTBLM
SCHEMBL8765031 0.78 KDM4E (0.32) ALDH1A1KDM4EMAPTBLM
SCHEMBL1013262 0.78 CNR2 (0.30) ALDH1A1KDM4EMAPTBLM
SCHEMBL24959709 0.78 KDM4E (0.30) ALDH1A1KDM4EMAPTBLM
SCHEMBL10104245 0.76 TRPM8 (0.38) ALDH1A1KDM4EMAPTMAPK14

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 55 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-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-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-20130310357-A1 Azolyl Urea Compounds and Methods of Use Thereof AMBIT BIOSCIENCES CORPORATION (US) 2013-11-21 US disclosed
US-20130035326-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-02-07 US disclosed
EP-2467137-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2012-06-27 EP disclosed
WO-2011150198-A1 AZOLYL UREA COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2011-12-01 WO disclosed
US-20110118245-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. 2011-05-19 US disclosed
WO-2011056764-A1 ISOTOPICALLY ENRICHED OR FLUORINATED IMIDAZO[2,1-B][1,3]BENZOTHIAZOLES AMBIT BIOSCIENCES CORP. (US) 2011-05-12 WO disclosed
WO-2011022473-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2011-02-24 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
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 ALDH1A1 2988/4885KDM4E 2179/4885MAPT 1517/4885
US-20230203045-A1 INHIBITORS OF NEK7 KINASE NEK7, NEK1, NEK5 ALDH1A1 4327/4885KDM4E 1783/4885MAPT 1175/4885
US-11713321-B2 Inhibitors of NEK7 kinase NEK7, NEK1, NEK5 ALDH1A1 4354/4885KDM4E 1778/4885MAPT 1210/4885
US-12091413-B2 Inhibitors of NEK7 kinase NEK7, NEK1, NEK5 ALDH1A1 4354/4885KDM4E 1778/4885MAPT 1210/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 ALDH1A1 4542/4885KDM4E 4052/4885MAPT 436/4885
US-20130310357-A1 Azolyl Urea Compounds and Methods of Use Thereof CSF1R, CSF3R, ARG1 ALDH1A1 1981/4885KDM4E 1227/4885MAPT 1029/4885
US-20130035326-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF FLT3, CSF3R, CSF1R ALDH1A1 1695/4885KDM4E 1761/4885MAPT 3602/4885
US-20230416259-A1 INHIBITORS OF NEK7 KINASE NEK7, NEK1, NEK5 ALDH1A1 4354/4885KDM4E 1778/4885MAPT 1210/4885

“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.