SCHEMBL12357166

SCHEMBL12357166

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.45
PIN1 Q13526 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC2A1 P11166 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
TRPA1 O75762 1/20 0.40
KMO O15229 1/20 0.40
GRM5 P41594 1/20 0.39

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
Hydrochloric Acid SCHEMBL2040122 0.99 MDM2 (0.44) MDM2PIN1KDM4EHPGDSMN1; SMN2
SCHEMBL2034986 0.89 TRPA1 (0.41) KDM4EHPGDSMN1; SMN2SLC2A1CYP1A2
SCHEMBL12357171 0.84 SLC2A1 (0.41) KDM4EHPGDSMN1; SMN2SLC2A1CYP1A2
SCHEMBL2017634 0.83 CYP1A2 (0.55) KDM4EHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL2015181 0.82 TRPM8 (0.47) KDM4EHPGDSMN1; SMN2SLC2A1CYP1A2
Trifluoroacetic Acid SCHEMBL2043009 0.79 ATM (0.44) KDM4EHPGDSMN1; SMN2CYP1A2CYP2C9
SCHEMBL12357174 0.78 PIN1 (0.46) MDM2PIN1KDM4ESMN1; SMN2KMO
Hydrochloric Acid SCHEMBL2035321 0.77 PIN1 (0.45) MDM2PIN1KDM4ESMN1; SMN2KMO
SCHEMBL2043010 0.76 TRPA1 (0.38) KDM4EHPGDSMN1; SMN2SLC2A1CYP1A2
SCHEMBL12629375 0.75 TRPA1 (0.44) KDM4EHPGDSMN1; SMN2SLC2A1TRPA1

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 9 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-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-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-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
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 MDM2 1682/4885PIN1 1448/4885KDM4E 1889/4885
US-20140275127-A1 SUBSTITUTED HETEROARYL FUSED DERIVATIVES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3R5 MDM2 1682/4885PIN1 1448/4885KDM4E 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.