SCHEMBL22717172

SCHEMBL22717172

COC(=O)c1cc(CBr)c(-c2ccnc(OC)c2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 1/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ CYP46A1 Q9Y6A2 1/20 0.38
▸ ACVR2A P27037 1/20 0.38
▸ TGFBR1 P36897 1/20 0.38
▸ TGFBR2 P37173 1/20 0.38
▸ EGLN1 Q9GZT9 6/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ NLRP3 Q96P20 3/20 0.35
▸ SLC13A5 Q86YT5 1/20 0.35
▸ PKN1 Q16512 1/20 0.35
▸ PKN2 Q16513 1/20 0.35

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
SCHEMBL22716997 0.86 PDE3B (0.39) NR4A2DHODHPDE3BPDE3ACYP46A1
SCHEMBL29454537 0.86 PDE3B (0.39) NR4A2DHODHPDE3BPDE3ACYP46A1
SCHEMBL22717203 0.83 CYP46A1 (0.44) NR4A2DHODHPDE3BPDE3ACYP46A1
SCHEMBL22724703 0.76 DHODH (0.40) NR4A2DHODHPDE3BPDE3AEGLN1
SCHEMBL25281510 0.75 CNR1 (0.43) NR4A2DHODHPDE3BPDE3ACYP46A1
SCHEMBL25478034 0.75 AAK1 (0.42) —
SCHEMBL22866621 0.73 CYP46A1 (0.40) NR4A2DHODHPDE3BPDE3ACYP46A1
SCHEMBL23703636 0.72 KDM4E (0.42) —
SCHEMBL30111861 0.72 KDM4E (0.42) —
SCHEMBL29261587 0.71 POLQ (0.52) CYP46A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220226298-A1 GPR40 AGONISTS KALLYOPE, INC. 2022-07-21 — — US disclosed
EP-3976576-A1 GPR40 AGONISTS Kallyope, Inc. (US) 2022-04-06 — — EP disclosed
WO-2020242943-A1 GPR40 AGONISTS KALLYOPE, INC. (US) 2020-12-03 — — WO disclosed
WO-2020242943-A1 GPR40 AGONISTS KALLYOPE, INC. (US) 2020-12-03 — — 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 (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-20220226298-A1 GPR40 AGONISTS GPR119, GPR65, GLP1R NR4A2 166/4885DHODH 3019/4885PDE3B 2010/4885

“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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