SCHEMBL3457964

SCHEMBL3457964

O=C(c1cccnc1)N1CCc2c(n[nH]c2-c2nc3ccccc3[nH]2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.49
HPGD P15428 1/20 0.48
PDGFRB P09619 2/20 0.44
HTR2B P41595 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
LDHA P00338 1/20 0.41
EPHX2 P34913 1/20 0.41
CXCR3 P49682 1/20 0.41
LMNA P02545 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
AURKA O14965 1/20 0.40
CDK1 P06493 1/20 0.40

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
SCHEMBL5072647 1.00 KDR (0.49) KDRHPGDPDGFRBHTR2BKDM4E
SCHEMBL3455916 0.88 KDR (0.46) KDRHPGDPDGFRBLMNA
SCHEMBL5067913 0.88 KDR (0.46) KDRHPGDPDGFRBLMNA
SCHEMBL3457136 0.79 MTHFD2 (0.41) KDRCDK4CCND1
SCHEMBL3455611 0.74 GRM5 (0.43) ALDH1A1SMN1; SMN2HTTCDK4CCND1
SCHEMBL3455647 0.72 SMN1; SMN2 (0.43) SMN1; SMN2CDK4CCND1LMNA
SCHEMBL3456012 0.71 P2RX7 (0.44) HPGDALDH1A1HTTLMNA
SCHEMBL3457113 0.70 PIK3CA (0.38) HPGDKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL3456798 0.69 ALDH1A1 (0.51) HPGDKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL3456362 0.69 L3MBTL1 (0.44) KDRKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2251340-A1 Substituted tetrahydro-1h-pyrazolo[3,4-c] pyridines, compositions containing same and use thereof Aventis Pharma S.A. (FR) 2010-11-17 EP 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-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 KDR 1415/4885HPGD 1060/4885PDGFRB 440/4885
US-20050096345-A1 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use BRD4, TP53, HCCS KDR 1542/4885HPGD 736/4885PDGFRB 471/4885

“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.