SCHEMBL31043166

SCHEMBL31043166

COC(=O)c1ccc(CN2CCC(F)(F)CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.46
MAPK1 P28482 2/20 0.44
KMT2A Q03164 2/20 0.43
HIF1A Q16665 1/20 0.43
EPAS1 Q99814 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CRBN Q96SW2 4/20 0.42
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
DDB1 Q16531 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
USP7 Q93009 1/20 0.41
POLB P06746 1/20 0.40
IDH1 O75874 1/20 0.40
PRMT5 O14744 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
SCHEMBL9733579 0.85 HRH3 (0.57) HRH3MAPK1KMT2AHIF1AEPAS1
SCHEMBL1857662 0.84 HRH3 (0.59) HRH3MAPK1KMT2ANPC1RAB9A
SCHEMBL30133987 0.84 HRH3 (0.47) HRH3MAPK1HIF1AEPAS1KDM4E
SCHEMBL29256706 0.84 HRH3 (0.45) HRH3MAPK1KMT2ANPC1RAB9A
SCHEMBL9202121 0.83 CHKA (0.55) HRH3MAPK1KMT2AHIF1AEPAS1
SCHEMBL17075531 0.82 HRH3 (0.61) HRH3MAPK1KMT2AHIF1AEPAS1
SCHEMBL18173335 0.82 MAPK1 (0.47) HRH3MAPK1KMT2AHIF1AEPAS1
Hydrochloric Acid SCHEMBL30583829 0.80 KDM5C (0.47) HRH3MAPK1KMT2AHIF1AEPAS1
Hydrochloric Acid SCHEMBL29250316 0.80 KDM5C (0.47) HRH3MAPK1KMT2AHIF1AEPAS1
SCHEMBL6949028 0.80 KDM4E (0.46) HRH3MAPK1KMT2AHIF1AEPAS1

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-20240300951-A1 Pyrazolopyridinone Compounds BEIGENE LTD. (KY) 2024-09-12 US disclosed
US-20240270751-A1 Pyrazolopyridinone Compounds BEIGENE LTD. (KY) 2024-08-15 US 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-20240300951-A1 Pyrazolopyridinone Compounds NFATC1, CD4, PBK HRH3 1784/4885MAPK1 576/4885KMT2A 2627/4885
US-20240270751-A1 Pyrazolopyridinone Compounds NFATC1, CD4, PBK HRH3 1784/4885MAPK1 576/4885KMT2A 2627/4885

“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.