SCHEMBL4842422

SCHEMBL4842422

Brc1cnc2[nH]c(-c3ccc(NCc4ncc[nH]4)cc3)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
KLK1 P06870 1/20 0.43
KLK5 Q9Y337 1/20 0.43
FPR2 P25090 1/20 0.40
SUV39H2 Q9H5I1 2/20 0.36
KDR P35968 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 1/20 0.36
HPSE Q9Y251 3/20 0.35
BRD4 O60885 1/20 0.35
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
MET P08581 1/20 0.34
MMP2 P08253 4/20 0.33
MMP9 P14780 4/20 0.33
MMP8 P22894 4/20 0.33

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
Trifluoroacetic Acid SCHEMBL4841657 0.91 TAAR1 (0.41) TAAR1KLK1KLK5FPR2NPC1
SCHEMBL4834899 0.81 MMP2 (0.43) NPC1RAB9AKMT2AHPSEMMP2
SCHEMBL5258008 0.80 HPSE (0.35) KDRNPC1RAB9AKMT2AHPSE
SCHEMBL4837685 0.80 TAAR1 (0.47) TAAR1
SCHEMBL5255731 0.79 TRPM5 (0.46) KDRNPC1RAB9AKMT2AHPSE
SCHEMBL5257452 0.79 NPC1 (0.34) KDRNPC1RAB9AKMT2AHPSE
SCHEMBL5259906 0.79 LMNA (0.43) KDRNPC1RAB9AKMT2AHPSE
SCHEMBL5255054 0.78 MAP3K8 (0.38) KDRNPC1RAB9AKMT2AHPSE
SCHEMBL5259949 0.78 NPC1 (0.39) KDRNPC1RAB9AKMT2AHPSE
SCHEMBL5258759 0.78 NPC1 (0.38) KDRNPC1RAB9AKMT2AHPSE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100358893-C Certain novel imidazopyridines and uses thereof ASTRAZENECA AB (SE) 2008-01-02 CN claimed
EP-1539759-B1 NOVEL IMIDAZOPYRIDINES AND THEIR USE ASTRAZENECA AB (SE) 2007-08-15 EP claimed
US-20050261333-A1 Use of and some novel imidazopyridines ASTRAZENECA A B (SE) 2005-11-24 US claimed
CN-1684964-A Use of and some novel imidazopyridines ASTRAZENECA AB (SE) 2005-10-19 CN claimed
US-7410966-B2 Use of and some novel imidazopyridines ASTRAZENECA AB (SE) 2008-08-12 US disclosed
CN-100358893-C Certain novel imidazopyridines and uses thereof ASTRAZENECA AB (SE) 2008-01-02 CN disclosed
EP-1539759-B1 NOVEL IMIDAZOPYRIDINES AND THEIR USE ASTRAZENECA AB (SE) 2007-08-15 EP disclosed
US-20050261333-A1 Use of and some novel imidazopyridines ASTRAZENECA A B (SE) 2005-11-24 US disclosed
CN-1684964-A Use of and some novel imidazopyridines ASTRAZENECA AB (SE) 2005-10-19 CN 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-20050261333-A1 Use of and some novel imidazopyridines ITK, CSNK1A1, RPS6KA1 TAAR1 2145/4885KLK1 1767/4885KLK5 1681/4885

“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.