SCHEMBL4939699

SCHEMBL4939699

CC1=NC(N)C(N)(Cc2cccc(Br)c2)C=C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.39
▸ AGXT P21549 2/20 0.39
▸ TAAR1 Q96RJ0 3/20 0.36
▸ MAOB P27338 5/20 0.34
▸ HPGD P15428 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ KDM1A O60341 3/20 0.32
▸ RCOR1 Q9UKL0 3/20 0.32
▸ MAOA P21397 1/20 0.32

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
SCHEMBL4938931 0.72 RAB9A (0.40) TSHRALDH1A1SMN1; SMN2
SCHEMBL27259336 0.60 TAAR1 (0.42) IDO1AGXTTAAR1MAOBALDH1A1
SCHEMBL42451 0.58 — —
SCHEMBL29427107 0.58 — —
SCHEMBL29469769 0.58 — —
SCHEMBL80602 0.58 — —
SCHEMBL3401008 0.58 TAAR1 (0.68) IDO1AGXTTAAR1MAOBSMN1; SMN2
SCHEMBL1513595 0.57 SIGMAR1 (0.53) IDO1AGXTTAAR1MAOBALDH1A1
SCHEMBL1520772 0.57 IDO1 (1.00) IDO1AGXTTAAR1MAOB
SCHEMBL29830809 0.57 IDO1 (0.64) IDO1AGXTTAAR1MAOBALDH1A1

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 3 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 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 IDO1 2550/4885AGXT 1125/4885TAAR1 450/4885

“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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