SCHEMBL22969153

SCHEMBL22969153

Nc1ccc(-c2cccc3ccncc23)c(N)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 3/20 0.54
HTR2C P28335 2/20 0.44
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 4/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
RAD52 P43351 1/20 0.39
CLK1 P49759 2/20 0.38
DYRK1A Q13627 1/20 0.38
PLAU P00749 2/20 0.37
NCF1 P14598 2/20 0.37
BACE1 P56817 2/20 0.37
F12 P00748 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37

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
SCHEMBL29495912 1.00 TNF (0.54) TNFHTR2CLMNACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL29698800 0.98 TNF (0.53) TNFHTR2CLMNACYP1A2CYP3A4
SCHEMBL22969590 0.87 CYP3A4 (0.54) TNFLMNACYP1A2CYP3A4CYP2D6
SCHEMBL29495673 0.87 CYP3A4 (0.54) TNFLMNACYP1A2CYP3A4CYP2D6
SCHEMBL24670378 0.84 TNF (0.51) TNFHTR2CLMNACYP1A2CYP3A4
SCHEMBL22969584 0.82 HTR2C (0.49) TNFHTR2CLMNACYP1A2CYP3A4
SCHEMBL29495885 0.82 HTR2C (0.49) TNFHTR2CLMNACYP1A2CYP3A4
SCHEMBL21222956 0.81 DHFR (0.47) LMNACYP3A4KDM4EPLAUNCF1
SCHEMBL22969506 0.81 TNF (0.48) TNFHTR2CLMNACYP1A2CYP3A4
SCHEMBL29495895 0.81 TNF (0.48) TNFHTR2CLMNACYP1A2CYP3A4

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 2 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 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 TNF 1190/4885HTR2C 29/4885LMNA 4712/4885

“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.