SCHEMBL22280577

SCHEMBL22280577

CCS(=O)(=O)c1ccc(NC(=O)NC)nc1-c1nc2cc(C(F)(F)F)nc(C)c2n1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 7/20 0.35
▸ DDR1 Q08345 3/20 0.33
▸ ACVR1 Q04771 4/20 0.31
▸ CLK4 Q9HAZ1 4/20 0.31
▸ MST1R Q04912 2/20 0.31
▸ CDK8 P49336 2/20 0.31
▸ GSK3A P49840 2/20 0.31
▸ GSK3B P49841 2/20 0.31
▸ TYRO3 Q06418 1/20 0.31
▸ KIT P10721 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ PRKD3 O94806 1/20 0.30
▸ PRKCG P05129 1/20 0.30
▸ CDK1 P06493 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ FLT4 P35916 1/20 0.30
▸ FLT3 P36888 1/20 0.30
▸ FRK P42685 1/20 0.30
▸ CSNK2A1 P68400 1/20 0.30
▸ CDK5 Q00535 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
SCHEMBL22280385 0.91 DDR1 (0.35) RORCDDR1
SCHEMBL22280771 0.89 DDR1 (0.33) RORCDDR1
SCHEMBL21796218 0.86 DDR1 (0.33) RORCDDR1ACVR1CLK4MST1R
SCHEMBL22280674 0.85 DDR1 (0.39) RORCDDR1
SCHEMBL20042377 0.85 RORC (0.34) RORCDDR1ACVR1CLK4MST1R
SCHEMBL30051769 0.85 RORC (0.34) RORCDDR1ACVR1CLK4MST1R
SCHEMBL20465937 0.82 CYP2C9 (0.31) ACVR1CLK4MST1RCDK8GSK3A
SCHEMBL22419058 0.81 RORC (0.34) RORCDDR1
SCHEMBL21796216 0.81 RORC (0.31) RORC
SCHEMBL29774752 0.81 RORC (0.31) RORC

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
US-10772332-B2 2-(het)aryl-substituted fused heterocycle derivatives as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2020-09-15 — — US disclosed
US-20200236940-A1 2-(HET)ARYL-SUBSTITUTED FUSED HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-07-30 — — 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-10772332-B2 2-(het)aryl-substituted fused heterocycle derivatives as pesticides CYP4X1, CYP1A1, CYP1A2 RORC 3196/4885DDR1 2858/4885ACVR1 585/4885
US-20200236940-A1 2-(HET)ARYL-SUBSTITUTED FUSED HETEROCYCLE DERIVATIVES AS PESTICIDES CYP4X1, CYP1A1, CYP1A2 RORC 3196/4885DDR1 2858/4885ACVR1 585/4885

“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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