SCHEMBL4934758

SCHEMBL4934758

COc1cccc(-c2ccc(OCc3ccccn3)c(CC3(N)C=CC=NC3N)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 13/20 0.46
▸ ABCB1 P08183 1/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ AURKB Q96GD4 2/20 0.43
▸ INCENP Q9NQS7 2/20 0.43
▸ MTNR1A P48039 1/20 0.40
▸ MTNR1B P49286 1/20 0.40
▸ NOS3 P29474 1/20 0.39
▸ NOS1 P29475 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ GABRA1 P14867 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ GABRA3 P34903 1/20 0.38
▸ GABRA2 P47869 1/20 0.38
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ NPC1 O15118 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
SCHEMBL4939691 0.89 ABCB1 (0.43) ABCB1HTR1ADRD2SMN1; SMN2
SCHEMBL4938218 0.82 CCR5 (0.44) SYKABCB1HTR1ADRD2AURKB
SCHEMBL4941269 0.81 BACE1 (0.55) SYKAURKBINCENPNOS3NOS1
SCHEMBL4937909 0.78 BACE1 (0.43) DRD2
SCHEMBL4934778 0.75 CYP11B1 (0.46) HTR1ADRD2NOS3NOS1NOS2
SCHEMBL4939736 0.74 FYN (0.37) NPC1RAB9ASMN1; SMN2
SCHEMBL4940431 0.72 BACE1 (0.37) SMN1; SMN2
SCHEMBL8264480 0.70 BACE1 (0.66) SYKABCB1HTR1ADRD2AURKB
SCHEMBL4939325 0.70 BACE1 (0.45) —
SCHEMBL4938118 0.67 AGXT (0.42) —

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-20080287399-A1 Substituted Aminopyridines and Uses Thereof ASTRAZENECA AB (SE) 2008-11-20 — — US claimed
US-20080287399-A1 Substituted Aminopyridines and Uses Thereof ASTRAZENECA AB (SE) 2008-11-20 — — US 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 SYK 3032/4885ABCB1 1176/4885HTR1A 524/4885

“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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