SCHEMBL102529

SCHEMBL102529

CCCc1cc(N2CCN(CCO)CC2)ncc1C(=O)NC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.40
PARP2 Q9UGN5 2/20 0.40
GAA P10253 1/20 0.39
WNT3A P56704 1/20 0.38
PDE4B Q07343 2/20 0.38
FGFR1 P11362 2/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
FLT1 P17948 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR3 P22607 1/20 0.38
KDR P35968 1/20 0.38
IKBKB O14920 1/20 0.37
PTPN11 Q06124 1/20 0.37
MAPK8 P45983 1/20 0.37
ABL1 P00519 2/20 0.37
SIK1 P57059 2/20 0.37
SIK2 Q9H0K1 2/20 0.37
SIK3 Q9Y2K2 2/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL106858 0.87 PDE4B (0.40) GAAWNT3APDE4BKDM4EALDH1A1
SCHEMBL104584 0.86 UGT8 (0.39) PARP1PARP2IKBKBPTPN11UGT8
SCHEMBL103673 0.73 GAA (0.36) GAAWNT3AIKBKBABL1SIK1
SCHEMBL905365 0.72 TACR1 (0.49) PARP1PARP2PTPN11
SCHEMBL103078 0.70 FLT1 (0.39) GAAFLT1KDRKDM4EALDH1A1
SCHEMBL905369 0.69 L3MBTL1 (0.45) LMNA
SCHEMBL6862194 0.66 RAB9A (0.45) KDM4EALDH1A1
SCHEMBL691990 0.66 IP6K1 (0.47) PARP1PARP2GAAFGFR1PDGFRB
SCHEMBL16840716 0.66 HRH4 (0.49) KDRLRRK2
SCHEMBL14872319 0.65 GAA (0.48) GAAWNT3ASRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 EP disclosed
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 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 (1 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-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 PARP1 4088/4885PARP2 4700/4885GAA 2147/4885

“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.