SCHEMBL966357

SCHEMBL966357

Cn1ncc(C=CC(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)c1-c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNC P24863 7/20 0.46
CDK8 P49336 7/20 0.46
CDK9 P50750 2/20 0.45
GRM2 Q14416 1/20 0.44
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 3/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 1/20 0.43
IDO1 P14902 1/20 0.43
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
FLT3 P36888 1/20 0.41
CDK19 Q9BWU1 2/20 0.40
MAPK1 P28482 1/20 0.40
MGLL Q99685 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
SCHEMBL966355 1.00 CCNC (0.46) CCNCCDK8CDK9GRM2CYP11B1
SCHEMBL4826321 0.89 CCNC (0.46) CCNCCDK8CDK9HDAC1HDAC6
SCHEMBL4826313 0.89 CCNC (0.46) CCNCCDK8CDK9HDAC1HDAC6
SCHEMBL4829220 0.86 CCNC (0.45) CCNCCDK8SMN1; SMN2LMNACDK19
SCHEMBL4829229 0.86 CCNC (0.45) CCNCCDK8SMN1; SMN2LMNACDK19
SCHEMBL14874730 0.86 CCNC (0.56) CCNCCDK8CDK9GRM2CDK19
SCHEMBL14874733 0.86 CCNC (0.56) CCNCCDK8CDK9GRM2CDK19
SCHEMBL4829388 0.85 LMNA (0.47) CCNCCDK8GRM2SMN1; SMN2LMNA
SCHEMBL4829378 0.85 LMNA (0.47) CCNCCDK8GRM2SMN1; SMN2LMNA
SCHEMBL4834441 0.84 GRM2 (0.46) CCNCCDK8GRM2HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US claimed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 US claimed
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP claimed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 WO claimed
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
US-20100029724-A1 SCREENING METHOD TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-02-04 US disclosed
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
EP-2039779-A1 SCREENING METHOD Takeda Pharmaceutical Company Limited (JP) 2009-03-25 EP disclosed
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 US disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 US disclosed
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 WO 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 (5 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 CCNC 2763/4885CDK8 2641/4885CDK9 3122/4885
US-20100029724-A1 SCREENING METHOD NR2C2, NCOR2, NCOA2 CCNC 3143/4885CDK8 2999/4885CDK9 2816/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG CCNC 3591/4885CDK8 2477/4885CDK9 2355/4885
US-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 CCNC 2548/4885CDK8 2963/4885CDK9 3079/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 CCNC 2548/4885CDK8 2963/4885CDK9 3079/4885

“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.