SCHEMBL22969487

SCHEMBL22969487

CCc1nc(N)ccc1-c1cccc2ccc(-c3cnccn3)nc12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.38
HTR2C P28335 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2B P41595 1/20 0.35
NCF1 P14598 4/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PIM1 P11309 2/20 0.34
PIM2 Q9P1W9 2/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
PIM3 Q86V86 1/20 0.34
PLAU P00749 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
SCHEMBL29495700 1.00 MCHR1 (0.38) MCHR1HTR2CHTR2AHTR2BNCF1
SCHEMBL29698771 0.87 CCR1 (0.37) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL29495854 0.86 TGFBR1 (0.41) MCHR1HTR2CHTR2AHTR2BNCF1
SCHEMBL22969505 0.86 TGFBR1 (0.41) MCHR1HTR2CHTR2AHTR2BNCF1
SCHEMBL29495887 0.85 CYP2A6 (0.45) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL22969201 0.85 CYP2A6 (0.45) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL22969567 0.83 LCK (0.40) MCHR1HTR2CPIM1PIM2
SCHEMBL29495728 0.83 LCK (0.40) MCHR1HTR2CPIM1PIM2
SCHEMBL22969279 0.82 NPC1 (0.39) MCHR1HTR2CHTR2AHTR2BNCF1
SCHEMBL22969593 0.82 MCHR1 (0.36) MCHR1HTR2CHTR2AHTR2BNCF1

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 219/4885HTR2C 29/4885HTR2A 59/4885

“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.