SCHEMBL4938625

SCHEMBL4938625

COc1ccc(-c2cccc(CC3(N)C=CC=NC3N)c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 2/20 0.46
▸ HSD17B2 P37059 2/20 0.46
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ KDR P35968 5/20 0.37
▸ EPHB4 P54760 2/20 0.37
▸ TEK Q02763 2/20 0.37
▸ LOXL2 Q9Y4K0 1/20 0.36
▸ NAAA Q02083 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PIK3CD O00329 2/20 0.36
▸ PIK3CA P42336 2/20 0.36
▸ PIK3CB P42338 2/20 0.36
▸ PIK3CG P48736 2/20 0.36
▸ PTGES2 Q9H7Z7 1/20 0.36
▸ PIP5K1C O60331 1/20 0.35
▸ PI4KA P42356 1/20 0.35

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
SCHEMBL4939736 0.84 FYN (0.37) —
SCHEMBL4937909 0.84 BACE1 (0.43) NAAACYP1A2CYP3A4CYP2C19MEN1
SCHEMBL4939325 0.81 BACE1 (0.45) CYP1A2CYP3A4CYP2C9MKNK1MKNK2
SCHEMBL4938118 0.81 AGXT (0.42) NAAA
SCHEMBL4933092 0.80 EPHX2 (0.44) LOXL2CYP1A2CYP3A4MKNK1MKNK2
SCHEMBL4931182 0.79 BACE1 (0.38) CYP2A6
SCHEMBL4937832 0.79 CYP17A1 (0.36) CYP3A4MKNK1MKNK2MEN1
SCHEMBL4941234 0.76 BACE1 (0.48) —
SCHEMBL4941152 0.74 MPO (0.31) —
SCHEMBL4939691 0.74 ABCB1 (0.43) CYP1A2CYP3A4CYP2C9CYP2C19MEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287399-A1 Substituted Aminopyridines and Uses Thereof ASTRAZENECA AB (SE) 2008-11-20 — — US claimed
EP-1831170-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF AstraZeneca AB (SE) 2007-09-12 — — EP claimed
WO-2006065204-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF ASTRAZENECA AB (SE) 2006-06-22 — — WO claimed
US-20080287399-A1 Substituted Aminopyridines and Uses Thereof ASTRAZENECA AB (SE) 2008-11-20 — — US disclosed
EP-1831170-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF AstraZeneca AB (SE) 2007-09-12 — — EP disclosed
WO-2006065204-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF ASTRAZENECA AB (SE) 2006-06-22 — — 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-20080287399-A1 Substituted Aminopyridines and Uses Thereof PSEN2, SLC1A2, PSEN1 HSD17B1 3378/4885HSD17B2 3328/4885ADORA2A 316/4885

“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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