SCHEMBL22969614

SCHEMBL22969614

Nc1ccc(-c2cccc3c2oc2ccccc23)c(N)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 3/20 0.52
▸ PRKDC P78527 4/20 0.44
▸ PIK3CD O00329 1/20 0.44
▸ PIK3CB P42338 1/20 0.44
▸ LIMK1 P53667 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ HPGD P15428 4/20 0.40
▸ GAA P10253 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ MAPT P10636 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ADORA2A P29274 1/20 0.36
▸ GGPS1 O95749 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ PTGES2 Q9H7Z7 1/20 0.36

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
SCHEMBL29495706 1.00 ALOX5 (0.52) ALOX5PRKDCPIK3CDPIK3CBLIMK1
SCHEMBL17974232 0.80 ALOX5 (0.69) ALOX5PRKDCPIK3CDPIK3CBKDM4E
SCHEMBL10945864 0.80 ALOX5 (0.68) ALOX5PRKDCPIK3CDPIK3CBKDM4E
SCHEMBL18179415 0.79 ALOX5 (0.58) ALOX5PRKDCPIK3CDPIK3CBLIMK1
SCHEMBL12996513 0.78 ALOX5 (0.66) ALOX5PRKDCPIK3CDPIK3CBKDM4E
SCHEMBL431458 0.78 ALOX5 (0.66) ALOX5PRKDCPIK3CDPIK3CBKDM4E
SCHEMBL430138 0.78 ALOX5 (0.66) ALOX5PRKDCPIK3CDPIK3CBKDM4E
SCHEMBL5028273 0.78 ALOX5 (0.66) ALOX5PRKDCPIK3CDPIK3CBKDM4E
SCHEMBL17727864 0.77 ALOX5 (0.57) ALOX5PRKDCPIK3CDPIK3CBLIMK1
SCHEMBL26750776 0.77 ALOX5 (0.61) ALOX5PRKDCPIK3CDPIK3CBKDM4E

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 ALOX5 439/4885PRKDC 4695/4885PIK3CD 2013/4885

“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.

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