SCHEMBL20468526

SCHEMBL20468526

CCS(=O)(=O)c1ccc(-n2cncn2)nc1-c1nc2cc(C(F)(F)F)nc(C#N)c2n1C

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ PDE4A P27815 1/20 0.30
▸ DDR1 Q08345 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
SCHEMBL21805954 0.89 HSD17B10 (0.34) ALDH1A1HPGDGLASMN1; SMN2HSD17B10
SCHEMBL21805952 0.87 HSD17B10 (0.33) ALDH1A1HPGDGLASMN1; SMN2HSD17B10
SCHEMBL22419059 0.86 DDR1 (0.33) DDR1
SCHEMBL20455829 0.86 SMN1; SMN2 (0.35) ALDH1A1HPGDSMN1; SMN2KDM4EDDR1
SCHEMBL20468293 0.84 ALDH1A1 (0.31) ALDH1A1HPGDGLASMN1; SMN2HSD17B10
SCHEMBL20465984 0.83 ALDH1A1 (0.30) ALDH1A1HPGDGLASMN1; SMN2
SCHEMBL22280676 0.83 FEN1 (0.32) DDR1
SCHEMBL29521486 0.83 DDR1 (0.35) DDR1
SCHEMBL20455821 0.83 DDR1 (0.35) DDR1
SCHEMBL17949562 0.81 SMN1; SMN2 (0.32) ALDH1A1HPGDGLASMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020058010-A1 PESTICIDAL MIXTURES COMPRISING A MESOIONIC COMPOUND BASF SE (DE) 2020-03-26 — — WO claimed
CN-110248942-B Process for preparing halogenated imidazopyridine derivatives 拜耳公司 2022-04-19 — — CN disclosed
EP-3577114-B1 METHOD FOR THE PREPARATION OF HALOGENATED IMIDAZOPYRIDINE DERIVATIVES BAYER AG (DE) 2021-11-10 — — EP disclosed
US-11072609-B2 Method for preparing halogenated imidazopyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2021-07-27 — — US disclosed
US-11072609-B2 Method for preparing halogenated imidazopyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2021-07-27 — — US disclosed
US-20210094947-A1 METHOD FOR PREPARING HALOGENATED IMIDAZOPYRIDINE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2021-04-01 — — US disclosed
US-20210094947-A1 METHOD FOR PREPARING HALOGENATED IMIDAZOPYRIDINE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2021-04-01 — — US disclosed
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
WO-2020058010-A1 PESTICIDAL MIXTURES COMPRISING A MESOIONIC COMPOUND BASF SE (DE) 2020-03-26 — — WO disclosed
WO-2018141955-A1 PROCESS FOR PREPARING HALOGENATED IMIDAZOPYRIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2018-08-09 — — 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 (4 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 ALDH1A1 591/4885HPGD 508/4885GLA 3187/4885
US-20210094947-A1 METHOD FOR PREPARING HALOGENATED IMIDAZOPYRIDINE DERIVATIVES CYP2F1, CYP2D6, POLR2A ALDH1A1 853/4885HPGD 1461/4885GLA 3154/4885
US-11072609-B2 Method for preparing halogenated imidazopyridine derivatives CYP2F1, CYP2D6, POLR2A ALDH1A1 853/4885HPGD 1461/4885GLA 3154/4885
US-20200236940-A1 2-(HET)ARYL-SUBSTITUTED FUSED HETEROCYCLE DERIVATIVES AS PESTICIDES CYP4X1, CYP1A1, CYP1A2 ALDH1A1 591/4885HPGD 508/4885GLA 3187/4885

“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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