SCHEMBL22969593

SCHEMBL22969593

CCc1nc(N)ccc1-c1cccc2ccc(-c3cncnc3)nc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.36
DHFR P00374 1/20 0.35
NCF1 P14598 2/20 0.34
BACE1 P56817 1/20 0.34
PLAU P00749 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 1/20 0.34

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
SCHEMBL29495692 1.00 MCHR1 (0.36) MCHR1DHFRNCF1BACE1PLAU
SCHEMBL29495887 0.88 CYP2A6 (0.45) DHFRPIM1PIM2HTR2AHTR2C
SCHEMBL22969201 0.88 CYP2A6 (0.45) DHFRPIM1PIM2HTR2AHTR2C
SCHEMBL22969279 0.88 NPC1 (0.39) MCHR1NCF1BACE1PLAUGABRP
SCHEMBL29495777 0.88 NPC1 (0.39) MCHR1NCF1BACE1PLAUGABRP
SCHEMBL22969491 0.87 ASIC3 (0.44) MCHR1DHFRNCF1BACE1PLAU
SCHEMBL29495752 0.87 ASIC3 (0.44) MCHR1DHFRNCF1BACE1PLAU
SCHEMBL22969237 0.84 MCHR1 (0.49) MCHR1NCF1BACE1PLAUGABRP
SCHEMBL29495695 0.84 MCHR1 (0.49) MCHR1NCF1BACE1PLAUGABRP
SCHEMBL22969149 0.83 MCHR1 (0.34) MCHR1NCF1BACE1PLAUGABRP

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 MCHR1 219/4885DHFR 2407/4885NCF1 280/4885

“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.