SCHEMBL16613190

SCHEMBL16613190

CCSc1ncncc1-c1nc2cc(C(F)(F)F)cnc2n1C

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
CYP11B1 P15538 3/20 0.31
CYP11B2 P19099 3/20 0.31
CYP19A1 P11511 1/20 0.31
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL16803710 0.85 SMN1; SMN2 (0.36) POLBCYP11B1CYP11B2
SCHEMBL16612482 0.84 POLB (0.50) POLBGRIN1GRIN2B
SCHEMBL9914963 0.83 POLB (0.51) POLBGRIN1GRIN2B
SCHEMBL16611730 0.82 POLB (0.48) POLBGRIN1GRIN2BPTGS2
SCHEMBL21925159 0.82 POLB (0.48) POLB
SCHEMBL16612304 0.82 POLB (0.48) POLBGRIN1GRIN2BPTGS1PTGS2
SCHEMBL16612003 0.81 POLB (0.49) POLB
SCHEMBL16611998 0.80 POLB (0.53) POLBGRIN1GRIN2B
SCHEMBL16613191 0.80 POLB (0.45) POLBCYP11B1CYP11B2CYP19A1GRIN1
SCHEMBL116826 0.80 POLB (0.50) POLBGRIN1GRIN2BPTGS2

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
EP-2857397-B1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2020-04-08 EP disclosed
US-9364000-B2 Method of controlling pests with fused heterocyclic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-14 US disclosed
US-9364000-B2 Method of controlling pests with fused heterocyclic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-14 US disclosed
US-20150373982-A1 METHOD OF CONTROLLING PESTS WITH FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2015-12-31 US disclosed
US-20150373982-A1 METHOD OF CONTROLLING PESTS WITH FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2015-12-31 US disclosed
US-20150166573-A1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-06-18 US disclosed
US-20150166573-A1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-06-18 US disclosed
EP-2857397-A1 FUSED HETEROCYCLIC COMPOUND Sumitomo Chemical Company Limited (JP) 2015-04-08 EP disclosed
EP-2857397-A1 FUSED HETEROCYCLIC COMPOUND Sumitomo Chemical Company Limited (JP) 2015-04-08 EP 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-20150373982-A1 METHOD OF CONTROLLING PESTS WITH FUSED HETEROCYCLIC COMPOUND NR4A1, NR2E1, NR0B1 POLB 4183/4885CYP11B1 159/4885CYP11B2 191/4885
US-20150166573-A1 FUSED HETEROCYCLIC COMPOUND NR4A1, NR2E1, NR0B2 POLB 3690/4885CYP11B1 202/4885CYP11B2 223/4885

“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.