SCHEMBL4939700

SCHEMBL4939700

CC1=NC(N)C(N)(Cc2cccc(-c3cccc(N)c3)c2)C=C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 5/20 0.35
▸ CYP17A1 P05093 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ MAOA P21397 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ PSIP1 O75475 1/20 0.33
▸ AXL P30530 1/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ IRAK4 Q9NWZ3 2/20 0.31
▸ CXCR3 P49682 1/20 0.31
▸ USP7 Q93009 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ HPGD P15428 2/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL4935405 0.90 AGXT (0.40) CYP19A1CYP11B1CYP11B2CXCR3
SCHEMBL4938403 0.82 PRMT6 (0.45) RECQLALDH1A1KDM4ENPC1RAB9A
SCHEMBL4939699 0.81 IDO1 (0.39) MAOATSHRALDH1A1HPGDHSD17B10
SCHEMBL4937325 0.70 BACE1 (0.38) MAOAMEN1KMT2A
SCHEMBL4938118 0.67 AGXT (0.42) CYP19A1CYP11B1CYP11B2MAOA
SCHEMBL13484318 0.64 MAOA (0.56) MAP4K4CYP17A1CYP3A4CYP19A1CYP11B1
SCHEMBL4931182 0.63 BACE1 (0.38) —
SCHEMBL4933092 0.63 EPHX2 (0.44) CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2
SCHEMBL4931079 0.63 MC4R (0.37) MEN1RECQLALDH1A1HSD17B10KDM4E
SCHEMBL30661714 0.62 MAOA (0.58) MAP4K4CYP17A1CYP3A4CYP19A1CYP11B1

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 MAP4K4 865/4885CYP17A1 3858/4885CYP3A4 2640/4885

“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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