SCHEMBL5246242

SCHEMBL5246242

Nc1ncc(Br)cc1NCc1cccc(-c2ccc3cc[nH]c3c2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 6/20 0.72
▸ DYRK1B Q9Y463 1/20 0.45
▸ CTSL P07711 2/20 0.44
▸ CTSB P07858 2/20 0.44
▸ CDK8 P49336 3/20 0.41
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ IGF1R P08069 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 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
SCHEMBL8265251 0.84 BACE1 (1.00) BACE1CTSLCTSBCDK8ADORA2A
SCHEMBL29941423 0.84 BACE1 (1.00) BACE1CTSLCTSBCDK8ADORA2A
SCHEMBL8263964 0.80 BACE1 (0.73) BACE1CTSLCTSBCDK8ADORA2A
SCHEMBL8265579 0.76 BACE1 (0.61) BACE1ADORA2AADORA1EGFRIGF1R
SCHEMBL17807867 0.74 BACE1 (0.58) BACE1EGFRNTRK1
SCHEMBL22191705 0.70 BACE1 (0.54) BACE1CDK8ADORA2AADORA1HDAC3
SCHEMBL5470166 0.67 BACE1 (0.52) BACE1CTSLCTSBCDK8ADORA2A
SCHEMBL8265032 0.67 BACE1 (0.85) BACE1ATR
SCHEMBL22516694 0.67 KDM4E (0.43) BACE1HDAC3HDAC1HDAC2HDAC6
SCHEMBL8265552 0.67 BACE1 (0.74) BACE1EGFRIGF1RHDAC1

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 5 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
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
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 BACE1 30/4885DYRK1B 2989/4885CTSL 3428/4885

“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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