SCHEMBL22969615

SCHEMBL22969615

CCc1nc(N)ccc1-c1cccc2ccc(N3CCOCC3)nc12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.52
▸ PIM1 P11309 1/20 0.45
▸ PIM2 Q9P1W9 1/20 0.45
▸ HTR3A P46098 1/20 0.43
▸ MCHR1 Q99705 1/20 0.43
▸ CCNC P24863 1/20 0.42
▸ CDK8 P49336 1/20 0.42
▸ ADRB1 P08588 1/20 0.41
▸ PIK3CA P42336 2/20 0.39
▸ MTOR P42345 2/20 0.39
▸ SHMT2 P34897 2/20 0.39
▸ CNR2 P34972 2/20 0.38
▸ ATR Q13535 2/20 0.38
▸ ATRIP Q8WXE1 2/20 0.38
▸ PRMT5 O14744 1/20 0.38
▸ WDR77 Q9BQA1 1/20 0.38
▸ PIK3CD O00329 1/20 0.36

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
SCHEMBL29495731 1.00 GAA (0.52) GAAPIM1PIM2HTR3AMCHR1
SCHEMBL29495910 0.97 GAA (0.49) GAAPIM1PIM2HTR3AMCHR1
SCHEMBL22969511 0.97 GAA (0.49) GAAPIM1PIM2HTR3AMCHR1
SCHEMBL22969580 0.91 HTR3A (0.47) GAAHTR3AMCHR1ADRB1
SCHEMBL29495986 0.91 HTR3A (0.47) GAAHTR3AMCHR1ADRB1
SCHEMBL22969399 0.84 HTR3A (0.42) GAAHTR3AMCHR1ADRB1PIK3CA
SCHEMBL29495813 0.84 HTR3A (0.42) GAAHTR3AMCHR1ADRB1PIK3CA
SCHEMBL22969621 0.82 SHMT2 (0.44) GAAMCHR1CCNCCDK8PIK3CA
SCHEMBL29495744 0.82 SHMT2 (0.44) GAAMCHR1CCNCCDK8PIK3CA
SCHEMBL29496062 0.81 GAA (0.48) GAAPIM1PIM2HTR3ACCNC

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 GAA 4248/4885PIM1 4725/4885PIM2 4415/4885

“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.

Send feedback