SCHEMBL17790243

SCHEMBL17790243

CCOC(=O)c1nc(C)[nH]c1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 3/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
MAPT P10636 5/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HDAC4 P56524 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 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
SCHEMBL21880014 0.86 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL19116493 0.84 HDAC4 (0.40) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL17788668 0.82 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL19954222 0.80 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL28575489 0.78 DGAT1 (0.49) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL11482936 0.78 CYP1A2 (0.47) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL19087002 0.78 PIN1 (0.39) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL7885220 0.76 ALDH1A1 (0.51) KDM4EALDH1A1HPGDCYP1A2HTT
SCHEMBL21771639 0.75 KDM4E (0.42) KDM4EALDH1A1HPGDCYP1A2HTT
SCHEMBL8292169 0.75 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170190689-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION 2017-07-06 US disclosed
US-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 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 (2 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-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 KDM4E 786/4885ALDH1A1 3223/4885HPGD 1731/4885
US-20170190689-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS PIK3CG, PIK3CD, PIK3CB KDM4E 2506/4885ALDH1A1 2997/4885HPGD 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.