SCHEMBL17633299

SCHEMBL17633299

COc1cc(-c2cc(Cl)ccc2C#N)ccn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.46
CYP3A4 P08684 1/20 0.46
KDM5A P29375 1/20 0.46
CNR1 P21554 1/20 0.44
LRRK2 Q5S007 2/20 0.43
DYRK1A Q13627 1/20 0.40
ACVR2A P27037 2/20 0.40
TGFBR2 P37173 2/20 0.40
PRKCQ Q04759 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ABL1 P00519 1/20 0.39
F11 P03951 1/20 0.39
KLKB1 P03952 1/20 0.39
SCN9A Q15858 3/20 0.38

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
SCHEMBL16114689 0.83 CNR1 (0.42) AAK1CYP3A4CNR1LRRK2DYRK1A
SCHEMBL19620183 0.82 CNR1 (0.41) AAK1CYP3A4KDM5ACNR1LRRK2
SCHEMBL16114779 0.80 SRC (0.43) PRKCQKDM4EMAPTTDP1ABL1
SCHEMBL30995101 0.78 CNR1 (0.47) CNR1LRRK2DYRK1AACVR2ATGFBR2
SCHEMBL16115569 0.78 KDM4E (0.42) CNR1DYRK1APRKCQKDM4EMAPT
SCHEMBL16115246 0.77 SRC (0.44) PRKCQABL1F11KLKB1
SCHEMBL17633302 0.77 JAK2 (0.40) PRKCQKDM4EMAPTTDP1ABL1
SCHEMBL30343103 0.77 SRC (0.44) PRKCQABL1F11KLKB1
SCHEMBL16114685 0.76 SRC (0.42) PRKCQKDM4EMAPTTDP1ABL1
SCHEMBL17633224 0.76 SRC (0.42) CYP3A4PRKCQKDM4EMAPTTDP1

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-3197872-B1 (2H)-2-OXOPYRIDINES AS FAKTOR XIA-INHIBITORS FOR TREATING THROMBOTIC DISEASES Bayer Pharma AG (DE) 2019-01-30 EP disclosed
EP-3197872-B1 (2H)-2-OXOPYRIDINES AS FAKTOR XIA-INHIBITORS FOR TREATING THROMBOTIC DISEASES Bayer Pharma AG (DE) 2019-01-30 EP disclosed
US-10167280-B2 Substituted oxopyridine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-01-01 US disclosed
US-20170291892-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-10-12 US disclosed
US-20170291892-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-10-12 US disclosed
US-20170291892-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-10-12 US disclosed
EP-3197872-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2017-08-02 EP disclosed
WO-2016046166-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-03-31 WO disclosed
WO-2016046166-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-03-31 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-10167280-B2 Substituted oxopyridine derivatives OGFOD1, PNPO, VASP AAK1 3069/4885CYP3A4 66/4885KDM5A 1407/4885
US-20170291892-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES OGFOD1, PNPO, VASP AAK1 3069/4885CYP3A4 66/4885KDM5A 1407/4885

“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.