SCHEMBL22969277

SCHEMBL22969277

CCc1nc(N)ccc1-c1c(F)ccc2ccc(N3CCCOCC3)nc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SHMT2 P34897 8/20 0.42
▸ GAA P10253 2/20 0.40
▸ CCNC P24863 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ MTOR P42345 6/20 0.36
▸ PIK3CA P42336 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ATR Q13535 1/20 0.35
▸ ATRIP Q8WXE1 1/20 0.35
▸ PIK3CD O00329 2/20 0.34
▸ PIK3C2B O00750 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ PIK3CB P42338 1/20 0.33

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
SCHEMBL29495961 1.00 SHMT2 (0.42) SHMT2GAACCNCCDK8MTOR
SCHEMBL29495744 0.97 SHMT2 (0.44) SHMT2GAACCNCCDK8MTOR
SCHEMBL22969621 0.97 SHMT2 (0.44) SHMT2GAACCNCCDK8MTOR
SCHEMBL22969291 0.89 MAP4K4 (0.39) SHMT2MTORPIK3CA
SCHEMBL29495699 0.89 MAP4K4 (0.39) SHMT2MTORPIK3CA
SCHEMBL22969511 0.83 GAA (0.49) SHMT2GAACCNCCDK8MTOR
SCHEMBL29495910 0.83 GAA (0.49) SHMT2GAACCNCCDK8MTOR
SCHEMBL22969615 0.80 GAA (0.52) SHMT2GAACCNCCDK8MTOR
SCHEMBL29495731 0.80 GAA (0.52) SHMT2GAACCNCCDK8MTOR
SCHEMBL22969281 0.80 REN (0.32) MTORPIK3CAPIK3CGPIK3CB

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
CN-114269730-A 5-heteroaryl-pyridin-2-amine compounds as neuropeptide FF receptor antagonists 多曼治疗学公司 2022-04-01 — — CN claimed
US-20220298135-A1 5-HETEROARYL-PYRIDIN-2-AMINE COMPOUNDS AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS DOMAIN THERAPEUTICS (FR) 2022-09-22 — — US disclosed
CN-114269730-A 5-heteroaryl-pyridin-2-amine compounds as neuropeptide FF receptor antagonists 多曼治疗学公司 2022-04-01 — — CN disclosed
WO-2021023813-A1 5-HETEROARYL-PYRIDIN-2-AMINE CONFOUNDS AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS DOMAIN THERAPEUTICS (FR) 2021-02-11 — — 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 (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-20220298135-A1 5-HETEROARYL-PYRIDIN-2-AMINE COMPOUNDS AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS NPFFR2, NPFFR1, OPRL1 SHMT2 4743/4885GAA 4248/4885CCNC 4362/4885

“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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