SCHEMBL21172020

SCHEMBL21172020

CC(C)(c1ccc2ncccc2c1)n1nnc2ccc(-c3cnn(CCOPI)c3)nc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MET P08581 20/20 0.44
PDE3B Q13370 4/20 0.43
PDE3A Q14432 4/20 0.43
CYP2C9 P11712 1/20 0.43
PDE10A Q9Y233 1/20 0.43
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
NQO2 P16083 2/20 0.40
PIP4K2C Q8TBX8 2/20 0.40
ABL1 P00519 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK10 P53779 1/20 0.37
DYRK1A Q13627 1/20 0.37
MAP3K19 Q56UN5 1/20 0.37
DYRK1B Q9Y463 1/20 0.37

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
SCHEMBL12122174 0.88 MET (0.56) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL1331141 0.87 MET (0.55) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL1329272 0.82 MET (0.56) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL21172008 0.76 MET (0.61) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL1329639 0.76 MET (0.50) METPDE3BPDE3ANQO2PIP4K2C
SCHEMBL1330820 0.73 MET (0.64) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL22109173 0.73 MET (0.54) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL12122052 0.72 MET (0.42) METPDE3BPDE3APDE10APDE4C
SCHEMBL12483191 0.70 MET (0.62) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL1328674 0.70 MET (0.67) METPDE3BPDE3ACYP2C9PDE10A

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-10590129-B2 3,5-disubstituted-3H-imidazo[4,5-B]pyridine and 3,5-disubstituted-3H-[1,2,3]triazolo[4,5-B] pyridine compounds as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2020-03-17 US disclosed
US-20190218211-A1 NOVEL 3,5-DISUBSTITUTED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5-DISUBSTITUTED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS AG (CH) 2019-07-18 US disclosed
US-20170240542-A1 NOVEL 3,5-DISUBSTITUTED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5-DISUBSTITUTED-3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS AG (CH) 2017-08-24 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 (3 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-10590129-B2 3,5-disubstituted-3H-imidazo[4,5-B]pyridine and 3,5-disubstituted-3H-[1,2,3]triazolo[4,5-B] pyridine compounds as modulators of protein kinases MAP4K2, MAP3K3, MAP3K1 MET 1142/4885PDE3B 524/4885PDE3A 503/4885
US-20190218211-A1 NOVEL 3,5-DISUBSTITUTED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5-DISUBSTITUTED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES MAP4K2, MAP4K3, MAP3K1 MET 1570/4885PDE3B 542/4885PDE3A 541/4885
US-20170240542-A1 NOVEL 3,5-DISUBSTITUTED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5-DISUBSTITUTED-3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES MAP4K2, MAP4K3, MAP3K1 MET 1570/4885PDE3B 542/4885PDE3A 541/4885

“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.