SCHEMBL30336282

SCHEMBL30336282

COc1cc(F)cc(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
EPAS1 Q99814 9/20 0.43
VEGFA P15692 1/20 0.41
NQO2 P16083 1/20 0.40

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
SCHEMBL508995 1.00 GRM5 (0.47) GRM5ALDH1A1CHRNB2CHRNA4EPAS1
SCHEMBL202404 0.87 ALDH1A1 (0.61) GRM5ALDH1A1
SCHEMBL509576 0.84 ALDH1A1 (0.58) GRM5ALDH1A1
SCHEMBL168353 0.82 ALDH1A1 (0.69) ALDH1A1NQO2
SCHEMBL16960842 0.79 ALDH1A1 (0.40) GRM5ALDH1A1CHRNB2CHRNA4EPAS1
SCHEMBL16961090 0.79 ALDH1A1 (0.40) GRM5ALDH1A1CHRNB2CHRNA4NQO2
SCHEMBL27774310 0.79 CHRNB2 (0.41) GRM5ALDH1A1CHRNB2CHRNA4EPAS1
SCHEMBL24086878 0.79 EPAS1 (0.40) EPAS1VEGFA
SCHEMBL13570675 0.79 DHFR (0.43) EPAS1
SCHEMBL1584993 0.78 EPAS1 (0.40) EPAS1VEGFA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203059-A1 MACROCYCLIC JAK INHIBITOR AND USES THEREOF BIOPOLAR HONGYE (NANTONG) PHARMACEUTICAL CO. LTD. (CN) 2023-06-29 US disclosed
EP-4159738-A1 MACROCYCLIC JAK INHIBITOR AND USES THEREOF Biopolar Hongye (Guangdong) Pharmaceutical Co. Ltd (CN) 2023-04-05 EP 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 (1 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-20230203059-A1 MACROCYCLIC JAK INHIBITOR AND USES THEREOF JAK3, JAK2, JAK1 GRM5 1687/4885ALDH1A1 4145/4885CHRNB2 4883/4885

“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.