SCHEMBL4829220

SCHEMBL4829220

Cn1ncc(/C=C/C(=O)Nc2ccc(Cn3nc4ccccc4n3)cc2)c1-c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 13/20 0.45
CDK8 P49336 13/20 0.45
EGFR P00533 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
CDK19 Q9BWU1 2/20 0.43
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC2 Q92769 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 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
SCHEMBL4829229 1.00 CCNC (0.45) CCNCCDK8EGFRMMP1MMP2
SCHEMBL4826317 0.89 CCNC (0.49) CCNCCDK8EGFRMMP1MMP2
SCHEMBL4826330 0.89 CCNC (0.49) CCNCCDK8EGFRMMP1MMP2
SCHEMBL4833758 0.88 HDAC2 (0.44) CCNCCDK8EGFRMMP1MMP2
SCHEMBL4833742 0.88 HDAC2 (0.44) CCNCCDK8EGFRMMP1MMP2
SCHEMBL4831378 0.87 EGFR (0.48) CCNCCDK8EGFRMMP1MMP2
SCHEMBL4831386 0.87 EGFR (0.48) CCNCCDK8EGFRMMP1MMP2
SCHEMBL4834441 0.87 GRM2 (0.46) CCNCCDK8CDK19LMNAKMT2A
SCHEMBL4834431 0.87 GRM2 (0.46) CCNCCDK8CDK19LMNAKMT2A
SCHEMBL4831457 0.86 CCNC (0.49) CCNCCDK8EGFRMMP1MMP2

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 5 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 disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 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 (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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 CCNC 2548/4885CDK8 2963/4885EGFR 802/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 CCNC 2548/4885CDK8 2963/4885EGFR 802/4885

“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.