SCHEMBL17508481

SCHEMBL17508481

Cc1cncc(Oc2ccc(F)cc2)c1C#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C19 P33261 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2D6 P10635 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
EPAS1 Q99814 2/20 0.39
ICAM1 P05362 1/20 0.38
SELE P16581 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CA12 O43570 1/20 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
SCHEMBL12122760 0.81 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C19SMN1; SMN2KDM4E
SCHEMBL9339489 0.72 CA12 (0.53) CYP1A2CYP3A4CYP2C19KDM4EMEN1
SCHEMBL2127151 0.72 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C19SMN1; SMN2KDM4E
SCHEMBL30254863 0.72 ERBB2 (0.42) CYP1A2CYP2C19SMN1; SMN2KDM4EMEN1
SCHEMBL22904451 0.72 ERBB2 (0.42) CYP1A2CYP2C19SMN1; SMN2KDM4EMEN1
SCHEMBL9359794 0.71 KDM4E (0.54) CYP1A2CYP3A4CYP2C19SMN1; SMN2KDM4E
SCHEMBL9746057 0.70 KDM4E (0.53) CYP1A2CYP3A4CYP2C19SMN1; SMN2KDM4E
SCHEMBL12122765 0.70 TLR8 (0.58) CYP1A2CYP3A4CYP2C19SMN1; SMN2KDM4E
SCHEMBL9361407 0.70 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C19SMN1; SMN2KDM4E
SCHEMBL31757251 0.70 AR (0.56) CYP1A2CYP3A4CYP2C19EPAS1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12534456-B2 Heterocyclyl pyridines as novel fungicides BAYER AKTIENGESELLSCHAFT (DE) 2026-01-27 US disclosed
US-20230295138-A1 HETEROCYCLYL PYRIDINES AS NOVEL FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-09-21 US disclosed
CN-116157397-A Heterocyclylpyridines as novel fungicides 拜耳公司 2023-05-23 CN disclosed
EP-4161914-A1 HETEROCYCLYL PYRIDINES AS NOVEL FUNGICIDES Bayer Aktiengesellschaft (DE) 2023-04-12 EP disclosed
WO-2016021742-A1 HETEROCYCLIC COMPOUNDS AS EP4 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-02-11 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-20230295138-A1 HETEROCYCLYL PYRIDINES AS NOVEL FUNGICIDES PNPO, CBR3, HPD CYP1A2 100/4885CYP3A4 38/4885CYP2C19 272/4885
US-12534456-B2 Heterocyclyl pyridines as novel fungicides CBR1, CBR3, NOX1 CYP1A2 57/4885CYP3A4 210/4885CYP2C19 387/4885

“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.