SCHEMBL2043010

SCHEMBL2043010

CC(N)(OC(=O)C(F)(F)F)c1nc2ccc(Cl)cn2c1-c1cccc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.38
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ATM Q13315 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
POLB P06746 1/20 0.34
CDK2 P24941 1/20 0.34
CYP2D6 P10635 1/20 0.34
GRIN2B Q13224 1/20 0.34
SLC2A1 P11166 1/20 0.34

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
SCHEMBL2034986 0.77 TRPA1 (0.41) TRPA1HPGDKDM4ESMN1; SMN2ATM
SCHEMBL12357166 0.76 MDM2 (0.45) TRPA1HPGDKDM4ESMN1; SMN2CYP1A2
Trifluoroacetic Acid SCHEMBL2043009 0.76 ATM (0.44) TRPA1HPGDKDM4ESMN1; SMN2ATM
SCHEMBL2015181 0.75 TRPM8 (0.47) TRPA1HPGDKDM4ESMN1; SMN2ATM
Hydrochloric Acid SCHEMBL2040122 0.75 MDM2 (0.44) TRPA1HPGDKDM4ESMN1; SMN2CYP1A2
SCHEMBL2017634 0.74 CYP1A2 (0.55) TRPA1HPGDKDM4ECYP1A2CYP2C9
SCHEMBL12357171 0.73 SLC2A1 (0.41) TRPA1HPGDKDM4ESMN1; SMN2CYP1A2
SCHEMBL12629375 0.71 TRPA1 (0.44) TRPA1HPGDKDM4ESMN1; SMN2SLC2A1
Trifluoroacetic Acid SCHEMBL2017034 0.66 PIK3CD (0.48)
SCHEMBL2165713 0.64 BCL2 (0.42) CDK2GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403847-B2 Substituted heteroaryl fused derivatives as P13K inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-08-02 US disclosed
US-20140275127-A1 SUBSTITUTED HETEROARYL FUSED DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2014-09-18 US disclosed
US-8759359-B2 Substituted heteroaryl fused derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-06-24 US disclosed
US-20110190319-A1 SUBSTITUTED HETEROARYL FUSED DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-08-04 US disclosed
WO-2011075643-A1 SUBSTITUTED HETEROARYL FUSED DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 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 (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-20110190319-A1 SUBSTITUTED HETEROARYL FUSED DERIVATIVES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3R5 TRPA1 4725/4885HPGD 2447/4885KDM4E 1889/4885
US-20140275127-A1 SUBSTITUTED HETEROARYL FUSED DERIVATIVES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3R5 TRPA1 4725/4885HPGD 2447/4885KDM4E 1889/4885

“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.