SCHEMBL3539745

SCHEMBL3539745

CCN1CCN(c2ccc3nc(-c4n[nH]c5c(OC)cccc45)n(C)c3c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.41
KHK P50053 2/20 0.40
FGFR1 P11362 6/20 0.38
FGFR2 P21802 6/20 0.38
LCK P06239 1/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
FGFR3 P22607 1/20 0.38
KDR P35968 1/20 0.38
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
FLT1 P17948 1/20 0.37
LMNA P02545 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
SCHEMBL3537155 0.88 KHK (0.42) KHKFGFR1FGFR2ALDH1A1HPGD
SCHEMBL3542577 0.87 KHK (0.41) KHKFGFR1FGFR2LCKMAPT
SCHEMBL3535903 0.87 LCK (0.47) KHKFGFR1FGFR2LCKKDM4E
SCHEMBL3537657 0.85 PRKDC (0.46) PRKDCKHKFGFR1FGFR2MAPT
SCHEMBL3540020 0.83 LMNA (0.44) KHKFGFR1FGFR2LCKMAPT
SCHEMBL3544838 0.82 ABL1 (0.53) KHKFGFR1FGFR2MAPTDRD2
SCHEMBL3536581 0.79 ABL1 (0.52) FGFR1FGFR2KDM4EALDH1A1FGFR3
SCHEMBL3533624 0.79 ABL1 (0.55) PRKDCKHKFGFR1FGFR2KDM4E
SCHEMBL3538866 0.79 FGFR1 (0.51) KHKFGFR1FGFR2MAPTKDM4E
SCHEMBL3541251 0.78 RAB9A (0.45) FGFR1MAPTKDM4EALDH1A1HPGD

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-7745454-B2 Alpha amino acid derivatives-inhibitors of leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2010-06-29 US disclosed
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
US-20060079564-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2006-04-13 US disclosed
US-20050085459-A1 Alpha amino acid derivatives-inhibitors of leukocyte adhesion mediated by VLA-4 KONRADI ANDREI W (US) 2005-04-21 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-20050085459-A1 Alpha amino acid derivatives-inhibitors of leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 PRKDC 4692/4885KHK 3627/4885FGFR1 2690/4885
US-20060079564-A1 Indazole benzimidazole compounds ABL1, ABL2, ALK PRKDC 50/4885KHK 2560/4885FGFR1 886/4885

“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.