SCHEMBL22280768

SCHEMBL22280768

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 2/20 0.34
▸ RORC P51449 3/20 0.33
▸ RAB9A P51151 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ KIF11 P52732 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ BCL2A1 Q16548 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ TLR9 Q9NR96 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
SCHEMBL22280674 0.87 DDR1 (0.39) DDR1RORC
SCHEMBL21999359 0.85 DDR1 (0.34) DDR1RAB9ANPC1
SCHEMBL20465988 0.83 ALDH1A1 (0.33) RAB9ANPC1
SCHEMBL22280577 0.80 RORC (0.35) DDR1RORC
SCHEMBL21998969 0.80 CNR2 (0.31) —
SCHEMBL22419058 0.79 RORC (0.34) DDR1RORC
SCHEMBL21805954 0.76 HSD17B10 (0.34) HPGDMAPK1KMT2AHSD17B10
SCHEMBL20465863 0.76 — —
SCHEMBL22280382 0.75 SMN1; SMN2 (0.37) DDR1MAPTHPGD
SCHEMBL31534712 0.74 DHODH (0.35) DDR1RORCRAB9ANPC1TP53

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 DDR1 2858/4885RORC 3196/4885RAB9A 905/4885
US-20200236940-A1 2-(HET)ARYL-SUBSTITUTED FUSED HETEROCYCLE DERIVATIVES AS PESTICIDES CYP4X1, CYP1A1, CYP1A2 DDR1 2858/4885RORC 3196/4885RAB9A 905/4885

“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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