SCHEMBL21171376

SCHEMBL21171376

Cc1cccc(C(=O)NCc2cc(C(=O)NCCN3CCOCC3)ccc2C)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.67
CYP2C19 P33261 2/20 0.60
CYP2C9 P11712 1/20 0.60
HSD17B10 Q99714 2/20 0.59
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
EPHX2 P34913 2/20 0.55
HTT P42858 1/20 0.54
CD274 Q9NZQ7 2/20 0.54
HPGD P15428 1/20 0.54
ALDH1A1 P00352 1/20 0.53
HTR1A P08908 1/20 0.53
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
KCNH2 Q12809 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL279958 0.89 CYP2C19 (0.72) POLBCYP2C19CYP2C9HSD17B10CYP1A2
SCHEMBL10192030 0.82 ALDH1A1 (0.70) POLBCYP2C19CYP2C9HSD17B10CYP2D6
SCHEMBL14435528 0.81 POLB (1.00) POLBCYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL280088 0.79 HSD17B10 (0.72) POLBCYP2C9HSD17B10CYP1A2CYP2D6
SCHEMBL19175419 0.78 POLB (0.80) POLBCYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL23412997 0.78 BCL3 (0.71) POLBCYP2C19CYP2C9HSD17B10EPHX2
SCHEMBL30092923 0.78 BCL3 (0.71) POLBCYP2C19CYP2C9HSD17B10EPHX2
SCHEMBL842621 0.78 HSD17B10 (0.70) POLBCYP2C9HSD17B10CYP1A2CYP2D6
SCHEMBL280240 0.77 MEN1 (0.76) POLBCYP2C19HTTCD274HPGD
SCHEMBL9312796 0.77 CYP2C19 (0.70) POLBCYP2C19CYP2C9CYP1A2CYP2D6

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 POLB 2221/4885CYP2C19 4095/4885CYP2C9 4463/4885
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 POLB 2582/4885CYP2C19 3873/4885CYP2C9 4369/4885

“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.