SCHEMBL3107680

SCHEMBL3107680

NC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 10/20 0.39
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
GRM2 Q14416 2/20 0.33
ORAI1 Q96D31 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL20017082 0.93 PDK2 (0.36) PDK2KMT2AATMGRM2
SCHEMBL21863425 0.92 PDK2 (0.36) PDK2KMT2AORAI1HPGD
SCHEMBL871382 0.92 PDK2 (0.36) PDK2KMT2AORAI1HPGD
SCHEMBL21247765 0.90 KMT2A (0.39) PDK2KMT2AATMGRM2
SCHEMBL20492209 0.89 PDK2 (0.44) PDK2HPGD
SCHEMBL18415106 0.88 KMT2A (0.36) PDK2KMT2AATMHPGD
SCHEMBL21863693 0.87 PDK2 (0.39) PDK2ORAI1HPGD
SCHEMBL869547 0.87 PDK2 (0.42) PDK2KMT2AHPGD
SCHEMBL3116329 0.86 PDK2 (0.31) PDK2HPGD
SCHEMBL870417 0.86 PDK2 (0.34) PDK2GRM2ORAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9095138-B2 Isoxazoline insecticides E.I. DU PONT DE NEMOURS AND COMPANY (US) 2015-08-04 US disclosed
US-20150098928-A9 ISOXAZOLINE INSECTICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2015-04-09 US disclosed
US-20140127165-A1 ISOXAZOLINE INSECTICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2014-05-08 US disclosed
US-8623875-B2 Isoxazoline insecticides E.I. DU PONT DE NEMOURS AND COMPANY (US) 2014-01-07 US disclosed
EP-2155701-B1 ISOXAZOLINE INSECTICIDES DU PONT (US) 2013-12-11 EP disclosed
US-20100179195-A1 ISOXAZOLINE INSECTICIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2010-07-15 US disclosed
EP-2155701-A2 ISOXAZOLINE INSECTICIDES E. I. Du Pont de Nemours and Company (US) 2010-02-24 EP disclosed
WO-2008154528-A2 ISOXAZOLINE INSECTICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-12-18 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 (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-20150098928-A9 ISOXAZOLINE INSECTICIDES CBR3, CYP4X1, PRDX1 PDK2 3141/4885KMT2A 3096/4885ATM 1526/4885
US-20140127165-A1 ISOXAZOLINE INSECTICIDES CBR3, CYP4X1, PRDX1 PDK2 3141/4885KMT2A 3096/4885ATM 1526/4885
US-20100179195-A1 ISOXAZOLINE INSECTICIDES CBR3, CYP4X1, PRDX1 PDK2 3141/4885KMT2A 3096/4885ATM 1526/4885

“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.