SCHEMBL20090883

SCHEMBL20090883

CCSc1cc(C)sc1-c1nc2cc(C(F)(F)F)n(CC)c(=O)c2n1C

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ DDR1 Q08345 1/20 0.30
▸ PDE7A Q13946 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
SCHEMBL21974662 0.91 PKM (0.30) —
SCHEMBL18171964 0.90 — —
SCHEMBL21974086 0.86 ALDH1A1 (0.31) ALDH1A1MAPK1SMN1; SMN2DDR1
SCHEMBL20086329 0.86 RAD51 (0.33) ADORA2AALDH1A1MAPK1
SCHEMBL18181314 0.84 DDR1 (0.34) DDR1
SCHEMBL21974261 0.84 TRPC5 (0.34) ADORA2AALDH1A1SMN1; SMN2DDR1
SCHEMBL20090863 0.82 DDR1 (0.32) ADORA2ASMN1; SMN2DDR1PDE7A
SCHEMBL18171979 0.80 — —
SCHEMBL18073404 0.80 KDR (0.34) ADORA2AALDH1A1SMN1; SMN2DDR1
SCHEMBL22291718 0.79 DDR1 (0.34) ADORA2ADDR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3286186-B1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE MEMBERED RING HETEROCYLES SYNGENTA PARTICIPATIONS AG (CH) 2020-05-06 — — EP disclosed
US-20180110226-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE MEMBERED RING HETEROCYLES SYNGENTA PARTICIPATIONS AG (CH) 2018-04-26 — — 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 (1 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-20180110226-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE MEMBERED RING HETEROCYLES SQOR, DDT, QSOX1 ADORA2A 4428/4885ALDH1A1 1226/4885MAPK1 2916/4885

“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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