SCHEMBL18624700

SCHEMBL18624700

CCS(=O)(=O)c1cc(C(F)(F)F)cnc1-c1nc2cc(C)ncc2n1C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.35
▸ DDR1 Q08345 6/20 0.33
▸ AGBL2 Q5U5Z8 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ RORC P51449 2/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ CRHR1 P34998 2/20 0.31
▸ LRRK2 Q5S007 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL17018436 0.90 POLB (0.35) POLBDDR1AGBL2S1PR1RORC
SCHEMBL16389599 0.89 POLB (0.34) POLBDDR1AGBL2S1PR1RORC
SCHEMBL20610184 0.89 POLB (0.34) POLBDDR1AGBL2S1PR1RORC
SCHEMBL18624698 0.89 PDE2A (0.35) POLBAGBL2ALOX5APFEN1LRRK2
SCHEMBL19755916 0.88 POLB (0.37) POLBDDR1AGBL2S1PR1RORC
SCHEMBL17901810 0.88 LMNA (0.34) POLBDDR1AGBL2S1PR1RORC
SCHEMBL29431589 0.87 RORC (0.39) POLBDDR1S1PR1RORCCNR2
SCHEMBL14684613 0.87 RORC (0.39) POLBDDR1S1PR1RORCCNR2
SCHEMBL19755917 0.87 POLB (0.37) POLBDDR1AGBL2S1PR1RORC
SCHEMBL17895956 0.87 POLB (0.35) POLBDDR1AGBL2S1PR1RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170073342-A1 2-(HET)ARYL-SUBSTITUTED FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-03-16 — — 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-20170073342-A1 2-(HET)ARYL-SUBSTITUTED FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES CYP1B1, CYP4B1, CYP8B1 POLB 3975/4885DDR1 3448/4885AGBL2 2090/4885

“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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