SCHEMBL4961979

SCHEMBL4961979

O=Cc1nn[nH]c1-c1ccccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.38
IDO1 P14902 1/20 0.38
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
HTR2B P41595 1/20 0.35
HTR3A P46098 1/20 0.35
HTR6 P50406 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
DCUN1D1 Q96GG9 2/20 0.35
KDM4E B2RXH2 1/20 0.34
KCNN4 O15554 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
PIK3CA P42336 1/20 0.33
PLK4 O00444 1/20 0.33
PDPK1 O15530 1/20 0.33
DAPK3 O43293 1/20 0.33
DYRK3 O43781 1/20 0.33
PRKD3 O94806 1/20 0.33

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
SCHEMBL4961817 0.75 NPC1 (0.41) ALDH1A1KDM4ECDK1PIM1FGFR1
SCHEMBL6071799 0.72 MAPK14 (0.39) NOTUMALDH1A1LMNAKDM4ERET
SCHEMBL4963651 0.71 NOTUM (0.41) NOTUMIDO1HTR1AHTR7HTR2B
SCHEMBL29139363 0.70 ERN1 (0.40) NOTUMIDO1KMT2ALMNAKCNN4
SCHEMBL12537791 0.66 IDO1 (0.43) IDO1
SCHEMBL15329999 0.66 ALDH1A1 (0.45) NOTUMIDO1ALDH1A1DCUN1D1KDM4E
SCHEMBL15330578 0.65 ERN1 (0.33) NOTUMALDH1A1KMT2AMEN1MAPT
SCHEMBL1278348 0.64 CYP2A6 (0.41) NOTUMKMT2ALMNAKCNN4NISCH
SCHEMBL31054318 0.64 CYP2A6 (0.41) NOTUMKMT2ALMNAKCNN4NISCH
SCHEMBL28281956 0.64 MBNL1 (0.49) IDO1ALDH1A1DCUN1D1PIK3CAMAPT

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
CN-101223143-A 3-cyanoquinoline inhibitors of TPL2 kinase and methods of making and using the same WYETH CORP (US) 2008-07-16 CN disclosed
EP-1888529-A2 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME Wyeth (US) 2008-02-20 EP disclosed
US-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2006-11-23 US disclosed
WO-2006124692-A2 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME WYETH (US) 2006-11-23 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 (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-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same TNNI3K, CSNK1A1L, CDKL1 NOTUM 3314/4885IDO1 1839/4885HTR1A 4217/4885

“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.