SCHEMBL16803686

SCHEMBL16803686

CCS(=O)(=O)c1ccncc1-c1nc2cc(C)cnc2n1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 3/20 0.38
▸ AKT1 P31749 2/20 0.35
▸ AKT2 P31751 2/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ DDR1 Q08345 2/20 0.34
▸ RPS6KA5 O75582 3/20 0.32
▸ RAPGEF4 Q8WZA2 2/20 0.32
▸ SLC40A1 Q9NP59 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ GRIN1 Q05586 2/20 0.31

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
SCHEMBL10249250 0.91 PDE10A (0.38) PDE10AAKT1AKT2BRD4SMN1; SMN2
SCHEMBL16612050 0.86 POLB (0.45) PDE10APOLBDDR1GRIN1GRIN2B
SCHEMBL15412773 0.86 BRD4 (0.40) PDE10AAKT1AKT2BRD4KDM4E
SCHEMBL16604841 0.81 BRD4 (0.34) PDE10AAKT1AKT2BRD4
SCHEMBL10249227 0.81 PDE10A (0.37) PDE10AAKT1AKT2BRD4SMN1; SMN2
SCHEMBL10249224 0.81 PDE10A (0.40) PDE10AAKT1AKT2BRD4SMN1; SMN2
SCHEMBL15426455 0.81 LMNA (0.34) PDE10AAKT1AKT2BRD4SMN1; SMN2
SCHEMBL15426384 0.81 RORC (0.37) PDE10AAKT1AKT2BRD4DDR1
SCHEMBL15426390 0.81 TNKS (0.38) PDE10ABRD4DDR1SLC40A1KDM4E
SCHEMBL10249278 0.80 PDE10A (0.36) PDE10AAKT1AKT2BRD4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20150166573-A1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-06-18 — — 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-20150373982-A1 METHOD OF CONTROLLING PESTS WITH FUSED HETEROCYCLIC COMPOUND NR4A1, NR2E1, NR0B1 PDE10A 3525/4885AKT1 2276/4885AKT2 2594/4885
US-20150166573-A1 FUSED HETEROCYCLIC COMPOUND NR4A1, NR2E1, NR0B2 PDE10A 3869/4885AKT1 1750/4885AKT2 2364/4885

“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.

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