SCHEMBL2854027

SCHEMBL2854027

CC(C)(C)NC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.72
KDM4E B2RXH2 3/20 0.72
MAPT P10636 4/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
POLB P06746 1/20 0.68
KMT2A Q03164 1/20 0.59
LMNA P02545 4/20 0.55
TDP1 Q9NUW8 3/20 0.55
HTT P42858 1/20 0.55
HPGD P15428 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
NR1H4 Q96RI1 1/20 0.51
MET P08581 1/20 0.49
AXL P30530 1/20 0.49
KEAP1 Q14145 2/20 0.49
NFE2L2 Q16236 2/20 0.49
HSD11B1 P28845 1/20 0.49
DDR1 Q08345 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 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
SCHEMBL2854118 0.88 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL10367084 0.86 ALDH1A1 (0.76) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL2856953 0.85 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL977559 0.85 ALDH1A1 (0.78) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL28705337 0.84 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL6527811 0.84 ALDH1A1 (0.76) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL2854458 0.83 ACHE (0.56) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL10365407 0.83 ALDH1A1 (0.70) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL2605690 0.83 ALDH1A1 (0.74) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL2858127 0.83 ALDH1A1 (0.74) ALDH1A1KDM4EMAPTSMN1; SMN2POLB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8907091-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-8404846-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2013-03-26 US disclosed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors Mirati Therapeutics, Inc. 2009-11-19 US disclosed
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors Mirati Therapeutics, Inc. 2009-11-19 US disclosed
US-20090264440-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY Mirati Therapeutics, Inc. 2009-10-22 US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US 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 (3 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-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors MAP3K19, MAP3K9, MAP4K2 ALDH1A1 3152/4885KDM4E 776/4885MAPT 1952/4885
US-20090264440-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET ALDH1A1 3139/4885KDM4E 2282/4885MAPT 1806/4885
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 ALDH1A1 3553/4885KDM4E 840/4885MAPT 1229/4885

“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.