SCHEMBL5067955

SCHEMBL5067955

Cc1cc2nc(-c3[nH]nc4c3CCN(C(=O)NCCc3ccccc3)C4)[nH]c2cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
PTGDR2 Q9Y5Y4 3/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
RAB9A P51151 4/20 0.37
USP2 O75604 3/20 0.37
KDM4E B2RXH2 3/20 0.37
NPC1 O15118 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
TP53 P04637 2/20 0.37
POLB P06746 2/20 0.37
HSD17B10 Q99714 2/20 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
SCHEMBL14032075 0.92 CYP1A2 (0.54) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL14032049 0.87 GPBAR1 (0.42) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL14032052 0.86 KMT2A (0.44) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL14031876 0.85 HPSE (0.47) SMN1; SMN2CYP1A2CYP2C19CYP3A4RAB9A
SCHEMBL3456885 0.85 NPC1 (0.40) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL14031817 0.85 PIP5K1C (0.46) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL14032040 0.84 ALDH1A1 (0.42) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL14032114 0.83 SMN1; SMN2 (0.47) SMN1; SMN2RAB9AKDM4ENPC1TP53
SCHEMBL3457560 0.82 DRD2 (0.41) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL3457136 0.82 MTHFD2 (0.41) RAB9ANPC1HPSEPDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435820-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c]pyridines compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2008-10-14 US disclosed
US-7435820-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c]pyridines compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2008-10-14 US disclosed
US-7435820-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c]pyridines compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2008-10-14 US disclosed
US-7109340-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2006-09-19 US disclosed
US-20060199837-A1 SUBSTITUTED TETRAHYDRO-1H-PYRAZOLO [3,4-C]PYRIDINES COMPOSITIONS COMPRISING THEM, AND USE AVENTIS PHARMA S.A. (FR) 2006-09-07 US disclosed
US-20050096345-A1 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2005-05-05 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-20060199837-A1 SUBSTITUTED TETRAHYDRO-1H-PYRAZOLO [3,4-C]PYRIDINES COMPOSITIONS COMPRISING THEM, AND USE BRD4, TP53, HCCS SMN1; SMN2 2815/4885CYP1A2 1156/4885CYP2C9 1525/4885
US-20050096345-A1 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use BRD4, TP53, HCCS SMN1; SMN2 2879/4885CYP1A2 1229/4885CYP2C9 1566/4885

“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.