SCHEMBL19973845

SCHEMBL19973845

Cn1c(-c2nn3ccccc3c2Br)nc2cc(C(F)(F)F)ncc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 3/20 0.33
▸ DHODH Q02127 2/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ METAP2 P50579 1/20 0.32
▸ METAP1 P53582 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RPS6KB1 P23443 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL31121688 1.00 TGFBR1 (0.33) TGFBR1DHODHPDE10AALDH1A1NPC1
SCHEMBL19993432 0.84 ALDH1A1 (0.32) TGFBR1PDE10AALDH1A1PKM
SCHEMBL31121687 0.83 ACSS2 (0.34) TGFBR1DHODHNPC1RAB9AOPRM1
SCHEMBL19993433 0.83 ACSS2 (0.34) TGFBR1DHODHNPC1RAB9AOPRM1
SCHEMBL23956588 0.82 OPRM1 (0.31) TGFBR1NPC1RAB9AOPRM1
SCHEMBL18131796 0.75 NPC1 (0.42) DHODHALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL19876690 0.75 DGAT1 (0.32) DHODHALDH1A1NPC1TP53TSHR
SCHEMBL18819688 0.75 MEN1 (0.39) DHODHPKMSMN1; SMN2OPRM1MEN1
SCHEMBL19439369 0.75 HSD11B1 (0.38) DHODHALDH1A1NPC1TP53PKM
SCHEMBL19993248 0.74 JAK2 (0.31) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515921-B1 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2021-10-27 — — EP disclosed
EP-3515921-B1 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2021-10-27 — — EP disclosed
US-10611779-B2 Fused bicyclic heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-04-07 — — US disclosed
US-10611779-B2 Fused bicyclic heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-04-07 — — US disclosed
US-20190248811-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-08-15 — — US disclosed
US-20190248811-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-08-15 — — US disclosed
EP-3515921-A1 PYRAZOLO [1,5-A]PYRIDINE DERIVATIVES AND THEIR USE AS PESTICIDES Bayer CropScience Aktiengesellschaft (DE) 2019-07-31 — — EP disclosed
WO-2018050825-A1 PYRAZOLO [1,5-A]PYRIDINE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-22 — — WO disclosed
WO-2018050825-A1 PYRAZOLO [1,5-A]PYRIDINE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-22 — — WO 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-10611779-B2 Fused bicyclic heterocycle derivatives as pesticides DDT, BCHE, ACHE TGFBR1 1262/4885DHODH 601/4885PDE10A 682/4885
US-20190248811-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, BCHE, ACHE TGFBR1 1262/4885DHODH 601/4885PDE10A 682/4885

“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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