SCHEMBL22969587

SCHEMBL22969587

CCc1nc(N)ccc1-c1cccc2ccc(C)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.44
MCHR1 Q99705 11/20 0.42
PARP1 P09874 1/20 0.42
NOS3 P29474 1/20 0.42
NOS2 P35228 1/20 0.42
CCR1 P32246 1/20 0.41
RAB9A P51151 1/20 0.41
CCR5 P51681 1/20 0.41
REN P00797 1/20 0.41
NCF1 P14598 2/20 0.40
BACE1 P56817 1/20 0.40
PLAU P00749 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40

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
SCHEMBL29495939 1.00 METAP2 (0.44) METAP2MCHR1PARP1NOS3NOS2
SCHEMBL29495695 0.92 MCHR1 (0.49) MCHR1NCF1BACE1PLAUGABRP
SCHEMBL22969237 0.92 MCHR1 (0.49) MCHR1NCF1BACE1PLAUGABRP
SCHEMBL22969462 0.82 MCHR1 (0.39) MCHR1RENNCF1BACE1PLAU
SCHEMBL29495745 0.82 MCHR1 (0.39) MCHR1RENNCF1BACE1PLAU
SCHEMBL22969177 0.82 NCF1 (0.47) MCHR1NCF1
SCHEMBL29495932 0.82 NCF1 (0.47) MCHR1NCF1
SCHEMBL22969491 0.82 ASIC3 (0.44) MCHR1PARP1NCF1BACE1PLAU
SCHEMBL22969528 0.82 CCR1 (0.44) MCHR1CCR1RENNCF1BACE1
SCHEMBL29495752 0.82 ASIC3 (0.44) MCHR1PARP1NCF1BACE1PLAU

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 METAP2 911/4885MCHR1 219/4885PARP1 3040/4885

“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.