SCHEMBL22291718

SCHEMBL22291718

CCSc1ccc(Cl)nc1-c1nc2cc(C(F)(F)F)n(CC)c(=O)c2n1C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 6/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ADORA2A P29274 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 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
SCHEMBL22291717 0.91 DDR1 (0.32) DDR1L3MBTL1TSHRMEN1KMT2A
SCHEMBL21571469 0.87 MEN1 (0.30) DDR1MEN1KMT2A
SCHEMBL20545450 0.85 KDM4E (0.36) DDR1ADORA2A
SCHEMBL18073398 0.84 GSR (0.33) DDR1ADORA2AMEN1KMT2A
SCHEMBL18357969 0.83 DDR1 (0.35) DDR1
SCHEMBL22779574 0.82 TDP2 (0.36) DDR1
SCHEMBL22779521 0.82 DDR1 (0.38) DDR1ADORA2A
SCHEMBL22779591 0.82 PDE10A (0.32) DDR1
SCHEMBL23971752 0.80 DDR1 (0.30) DDR1
SCHEMBL20505439 0.80 ALDH1A1 (0.30) DDR1

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
EP-3377489-B1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-10-07 — — EP disclosed
US-10745396-B2 Pesticidally active polycyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2020-08-18 — — US disclosed
US-10730872-B2 Pesticidally active heterocyclic derivatives with sulphur containing sustitutents SYNGENTA PARTICIPATIONS AG (CH) 2020-08-04 — — 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-10730872-B2 Pesticidally active heterocyclic derivatives with sulphur containing sustitutents TST, DDT, SULT1A1 DDR1 2408/4885L3MBTL1 1380/4885ADORA2A 2180/4885
US-10745396-B2 Pesticidally active polycyclic derivatives with sulfur containing substituents DDT, SQOR, ACHE DDR1 4468/4885L3MBTL1 1417/4885ADORA2A 4353/4885

“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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