SCHEMBL22969407

SCHEMBL22969407

Nc1ccc(-c2coc3ccccc23)c(N)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRK2 P25098 1/20 0.40
▸ CHRM1 P11229 2/20 0.37
▸ CHRM3 P20309 2/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ CHRM5 P08912 1/20 0.37
▸ IKBKE Q14164 1/20 0.37
▸ TBK1 Q9UHD2 1/20 0.37
▸ NISCH Q9Y2I1 1/20 0.35
▸ MIF P14174 1/20 0.34
▸ MAOB P27338 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ HBB P68871 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 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
SCHEMBL29495787 1.00 GRK2 (0.40) GRK2CHRM1CHRM3CHRM2CHRM4
SCHEMBL2490828 0.78 CHRM2 (0.50) GRK2CHRM1CHRM3CHRM2CHRM4
SCHEMBL21861276 0.75 GRK2 (0.39) GRK2CHRM1CHRM3CHRM2CHRM4
SCHEMBL22969614 0.73 ALOX5 (0.52) MEN1KMT2ACDK2KDM4EMAPT
SCHEMBL29495706 0.73 ALOX5 (0.52) MEN1KMT2ACDK2KDM4EMAPT
SCHEMBL18803668 0.73 ALDH1A1 (0.52) GRK2CHRM1CHRM3CHRM2CHRM4
SCHEMBL21222956 0.72 DHFR (0.47) NISCHMEN1CYP3A4MAPK1KMT2A
SCHEMBL21223584 0.70 IDO1 (0.48) CHRM1CHRM3MEN1CYP3A4MAPK1
SCHEMBL21223723 0.70 CYP1A2 (0.48) CHRM1CHRM3MEN1CYP3A4MAPK1
SCHEMBL21223542 0.70 HTR2B (0.44) CHRM1CHRM3MEN1CYP3A4MAPK1

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 GRK2 99/4885CHRM1 513/4885CHRM3 379/4885

“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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