SCHEMBL4047712

SCHEMBL4047712

Cc1ncccc1-c1c(C#N)c(C(N)=O)c2n1CCNC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
PARP1 P09874 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDCD1 Q15116 3/20 0.33
CD274 Q9NZQ7 3/20 0.33
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
PIK3CD O00329 1/20 0.32
CYP2D6 P10635 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
PIP4K2A P48426 1/20 0.32
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL4043668 0.94 MKNK1 (0.34) MKNK1MKNK2HTR2AHTR2CPARP1
Trifluoroacetic Acid SCHEMBL4039701 0.77 CYP11B2 (0.33) HTR2AHTR2CPIP4K2A
SCHEMBL4039352 0.77 SQOR (0.41) PARP1CSNK1DCSNK1E
Trifluoroacetic Acid SCHEMBL4036656 0.75 MKNK1 (0.36) MKNK1MKNK2HTR2AHTR2CCSNK1D
Trifluoroacetic Acid SCHEMBL4042312 0.73 HTR2A (0.40) HTR2AHTR2CPARP1ALDH1A1CSNK1E
SCHEMBL27606668 0.71
SCHEMBL7955823 0.70 MKNK1 (0.41) MKNK1MKNK2ALDH1A1CSNK1DCSNK1E
SCHEMBL13964438 0.68 CSNK1E (0.38) HTR2AHTR2CCSNK1DCSNK1E
SCHEMBL4040261 0.68 MKNK1 (0.42) MKNK1MKNK2HTR2AHTR2CALDH1A1
SCHEMBL4038918 0.67 SQOR (0.44)

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-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP claimed
US-20040082639-A1 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2004-04-29 US claimed
EP-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP disclosed
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP 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-20040082639-A1 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders PDGFRA, PDGFRB, PDGFA MKNK1 638/4885MKNK2 565/4885HTR2A 1350/4885

“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.