SCHEMBL22969279

SCHEMBL22969279

CCc1nc(N)ccc1-c1cccc2ccc(-c3ccncc3)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
AR P10275 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
MCHR1 Q99705 10/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
NCF1 P14598 2/20 0.34
MAP4K4 O95819 1/20 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

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
SCHEMBL29495777 1.00 NPC1 (0.39) NPC1CYP1A2CYP3A4ARCYP2D6
SCHEMBL29495752 0.90 ASIC3 (0.44) MCHR1PIM1PIM2NCF1BACE1
SCHEMBL22969491 0.90 ASIC3 (0.44) MCHR1PIM1PIM2NCF1BACE1
SCHEMBL22969201 0.88 CYP2A6 (0.45) NPC1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL29495887 0.88 CYP2A6 (0.45) NPC1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL29495692 0.88 MCHR1 (0.36) MCHR1PIM1PIM2HTR2AHTR2C
SCHEMBL22969593 0.88 MCHR1 (0.36) MCHR1PIM1PIM2HTR2AHTR2C
SCHEMBL22969237 0.84 MCHR1 (0.49) MCHR1NCF1BACE1PLAUGABRP
SCHEMBL29495695 0.84 MCHR1 (0.49) MCHR1NCF1BACE1PLAUGABRP
SCHEMBL22969567 0.83 LCK (0.40) CYP1A2CYP3A4ARCYP2D6CYP2C9

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 NPC1 2711/4885CYP1A2 1722/4885CYP3A4 3149/4885

“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.