SCHEMBL19876693

SCHEMBL19876693

COC(=O)c1ccc(F)c(-c2nc3cc(C(F)(F)F)ncc3n2C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.37
▸ ENPP1 P22413 3/20 0.34
▸ DHODH Q02127 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MRGPRX4 Q96LA9 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ KCNN4 O15554 1/20 0.34
▸ SCN9A Q15858 1/20 0.33
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ AGPAT2 O15120 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ LMNA P02545 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
SCHEMBL17967742 0.85 DDR1 (0.35) MAPTALDH1A1HPGDKDM4ESCN9A
SCHEMBL31534710 0.85 DDR1 (0.35) MAPTALDH1A1HPGDKDM4ESCN9A
SCHEMBL19877212 0.82 MAPT (0.37) MAPTALDH1A1HPGDKDM4EMRGPRX4
SCHEMBL17967736 0.81 USP1 (0.33) DHODHCYP11B2ALOX5AP
SCHEMBL19876690 0.79 DGAT1 (0.32) MAPTDHODHALDH1A1CYP11B2SMN1; SMN2
SCHEMBL19876689 0.79 MEN1 (0.36) DHODHALDH1A1HPGDKDM4ECYP11B2
SCHEMBL19876688 0.77 MEN1 (0.33) DHODHALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL21796215 0.77 MAPT (0.32) MAPTALDH1A1HPGDKDM4ECYP11B2
SCHEMBL29774758 0.77 MAPT (0.32) MAPTALDH1A1HPGDKDM4ECYP11B2
SCHEMBL20379046 0.75 SDHB (0.34) MAPTENPP1ALDH1A1HPGDKDM4E

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
US-10875858-B2 Process for preparing halogenated pyridine derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-12-29 — — US disclosed
US-10875858-B2 Process for preparing halogenated pyridine derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-12-29 — — US disclosed
EP-3500568-B1 PROCESS FOR THE PREPARATION OF 2-(3,6-DIHALOPYRIDIN-2-YL)-3H-IMIDAZOL[4,5-C]PYRIDINE DERIVATIVES AND RELATED COMPOUNDS BY REACTING THE 3H-IMIDAZOL[4,5-C]PYRIDINE DERIVATIVE WITH A METAL-ORGANIC ZINC-AMINE BASE BAYER CROPSCIENCE AG (DE) 2020-09-23 — — EP disclosed
EP-3500568-B1 PROCESS FOR THE PREPARATION OF 2-(3,6-DIHALOPYRIDIN-2-YL)-3H-IMIDAZOL[4,5-C]PYRIDINE DERIVATIVES AND RELATED COMPOUNDS BY REACTING THE 3H-IMIDAZOL[4,5-C]PYRIDINE DERIVATIVE WITH A METAL-ORGANIC ZINC-AMINE BASE BAYER CROPSCIENCE AG (DE) 2020-09-23 — — EP disclosed
US-20190202829-A1 PROCESS FOR PREPARING HALOGENATED PYRIDINE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-07-04 — — US disclosed
US-20190202829-A1 PROCESS FOR PREPARING HALOGENATED PYRIDINE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-07-04 — — US disclosed
EP-3500568-A1 METHOD FOR PRODUCING 2-(3,6-DIHALOPYRIDIN-2-YL)-3H-IMIDAZOL[4,5-C]PYRIDINE DERIVATIVES AND RELATED COMPOUNDS BY REACTION OF THE 3H-IMIDAZOL[4,5-C]PYRIDINE DERIVATIVE WITH AN ORGANOMETALLIC ZINC-AMINE BASE Bayer CropScience Aktiengesellschaft (DE) 2019-06-26 — — EP disclosed
WO-2018033448-A1 METHOD FOR PRODUCING 2-(3,6-DIHALOPYRIDIN-2-YL)-3H-IMIDAZOL[4,5-C]PYRIDINE DERIVATIVES AND RELATED COMPOUNDS BY REACTION OF THE 3H-IMIDAZOL[4,5-C]PYRIDINE DERIVATIVE WITH AN ORGANOMETALLIC ZINC-AMINE BASE BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-02-22 — — WO disclosed
WO-2018033448-A1 METHOD FOR PRODUCING 2-(3,6-DIHALOPYRIDIN-2-YL)-3H-IMIDAZOL[4,5-C]PYRIDINE DERIVATIVES AND RELATED COMPOUNDS BY REACTION OF THE 3H-IMIDAZOL[4,5-C]PYRIDINE DERIVATIVE WITH AN ORGANOMETALLIC ZINC-AMINE BASE BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-02-22 — — 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-10875858-B2 Process for preparing halogenated pyridine derivatives CBR3, NQO2, CBR1 MAPT 4568/4885ENPP1 2337/4885DHODH 1388/4885
US-20190202829-A1 PROCESS FOR PREPARING HALOGENATED PYRIDINE DERIVATIVES CBR3, NQO2, CBR1 MAPT 4568/4885ENPP1 2337/4885DHODH 1388/4885

“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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