SCHEMBL29626876

SCHEMBL29626876

Cc1ccccc1-n1ccc(-c2ccccc2C(N)=O)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.44
MAP4K2 Q12851 1/20 0.43
TGFBR1 P36897 2/20 0.42
MAPK14 Q16539 1/20 0.40
CAPN1 P07384 1/20 0.39
TYK2 P29597 2/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
MYC P01106 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
RPS6KB1 P23443 1/20 0.37
PARP1 P09874 1/20 0.37
GRM5 P41594 1/20 0.37
CSNK1A1 P48729 1/20 0.37
TYRO3 Q06418 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
EPHB4 P54760 1/20 0.36

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
SCHEMBL28042524 0.84 PARP1 (0.54) BCAT2TGFBR1CAPN1TYK2JAK2
SCHEMBL28042578 0.81 NPC1 (0.41) BCAT2TGFBR1CAPN1ALDH1A1KDM4E
SCHEMBL28042519 0.80 BCAT2 (0.43) BCAT2MAP4K2TGFBR1TYK2PARP1
SCHEMBL1380693 0.78 BCAT2 (0.53) BCAT2TGFBR1ALDH1A1KDM4EMAPT
SCHEMBL30964842 0.78 BCAT2 (0.53) BCAT2TGFBR1ALDH1A1KDM4EMAPT
SCHEMBL21141881 0.71 KMT2A (0.53) CAPN1ALDH1A1KDM4EMAPTNPC1
SCHEMBL1788703 0.70 BCAT2 (0.59) BCAT2MYCALDH1A1KDM4EMAPT
SCHEMBL28042579 0.70 PARP1 (0.40) CAPN1ALDH1A1KDM4EPARP1
SCHEMBL16654017 0.70 KDM4C (0.51) BCAT2MAP4K2JAK2MAPTPARP1
SCHEMBL15964204 0.70 ALDH1A1 (0.62) MAPK14ALDH1A1MAPTNPC1

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-11548854-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2023-01-10 US disclosed
US-11332448-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2022-05-17 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-11548854-B2 Heterocyclic compounds as pesticides DDT, ACHE, PTMS BCAT2 2298/4885MAP4K2 3394/4885TGFBR1 4498/4885
US-11332448-B2 Heterocyclic compounds as pesticides DDT, ACHE, PTMS BCAT2 2298/4885MAP4K2 3394/4885TGFBR1 4498/4885

“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.