SCHEMBL22969607

SCHEMBL22969607

Nc1ccc(-c2cccc3[nH]ccc23)c(N)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.51
PIK3CD O00329 7/20 0.49
PIK3CB P42338 5/20 0.43
PIK3CG P48736 4/20 0.43
ASH1L Q9NR48 1/20 0.42
ATR Q13535 1/20 0.42
PIK3CA P42336 4/20 0.41
MTOR P42345 3/20 0.41
ABL1 P00519 2/20 0.41
EGFR P00533 2/20 0.41
HCK P08631 2/20 0.41
SRC P12931 2/20 0.41
KDR P35968 2/20 0.41
EPHB4 P54760 2/20 0.41
PRKDC P78527 2/20 0.41
PI4KB Q9UBF8 2/20 0.41
AHR P35869 1/20 0.41
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
HPGDS O60760 1/20 0.39

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
SCHEMBL29495750 1.00 DHFR (0.51) DHFRPIK3CDPIK3CBPIK3CGASH1L
SCHEMBL22969381 0.79 MEN1 (0.53) DHFRABL1MAPK1
SCHEMBL29495871 0.79 MEN1 (0.53) DHFRABL1MAPK1
SCHEMBL20540332 0.78 PIK3CD (0.64) DHFRPIK3CDPIK3CBPIK3CGASH1L
SCHEMBL16339565 0.78 DHFR (0.55) DHFRPIK3CDPIK3CBPIK3CGASH1L
SCHEMBL22969400 0.75 REN (0.49) ATREGFRAHR
SCHEMBL31456259 0.75 PIK3CD (0.58) DHFRPIK3CDPIK3CBPIK3CGASH1L
SCHEMBL29495863 0.75 REN (0.49) ATREGFRAHR
SCHEMBL21222956 0.74 DHFR (0.47) DHFRPI4KBMAPK1
SCHEMBL29709700 0.73 PIK3CD (0.47) DHFRPIK3CDPIK3CBPIK3CGASH1L

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220298135-A1 5-HETEROARYL-PYRIDIN-2-AMINE COMPOUNDS AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS DOMAIN THERAPEUTICS (FR) 2022-09-22 US claimed
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
US-20220298135-A1 5-HETEROARYL-PYRIDIN-2-AMINE COMPOUNDS AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS DOMAIN THERAPEUTICS (FR) 2022-09-22 US disclosed
EP-4010328-A1 5-HETEROARYL-PYRIDIN-2-AMINE CONFOUNDS AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Domain Therapeutics (FR) 2022-06-15 EP 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
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 DHFR 2407/4885PIK3CD 2013/4885PIK3CB 2414/4885

“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.