SCHEMBL13964138

SCHEMBL13964138

N#Cc1cccc(NC(=O)N2CCn3c(c(C(N)=O)c(C#N)c3-c3ccccc3)C2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1E P49674 4/20 0.52
▸ CSNK1D P48730 1/20 0.47
▸ FAAH O00519 1/20 0.46
▸ CYP3A4 P08684 6/20 0.46
▸ CYP1A2 P05177 4/20 0.46
▸ USP2 O75604 4/20 0.46
▸ CYP2D6 P10635 3/20 0.46
▸ CYP2C9 P11712 3/20 0.46
▸ CYP2C19 P33261 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ GRIN2B Q13224 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ NAMPT P43490 1/20 0.46
▸ RECQL P46063 1/20 0.45
▸ HIF1A Q16665 3/20 0.45
▸ POLB P06746 1/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL14368468 0.90 CSNK1E (0.51) CSNK1ECSNK1D
SCHEMBL14394073 0.90 CSNK1E (0.56) CSNK1ECSNK1DFAAHCYP3A4CYP1A2
SCHEMBL13964280 0.90 NAMPT (0.49) CSNK1ECSNK1DFAAHNAMPT
SCHEMBL4223401 0.85 CSNK1E (0.43) CSNK1ECSNK1DALDH1A1TSHR
SCHEMBL14368381 0.85 CSNK1E (0.47) CSNK1ECSNK1DALDH1A1HPGDSMN1; SMN2
SCHEMBL14368487 0.85 CSNK1E (0.47) CSNK1ESMN1; SMN2
SCHEMBL13963931 0.85 CSNK1E (0.51) CSNK1ECSNK1DFAAH
SCHEMBL13963925 0.85 CSNK1E (0.53) CSNK1ECSNK1DFAAHGRIN2B
SCHEMBL14393889 0.84 CSNK1E (0.61) CSNK1ECSNK1DCYP1A2GRIN2BTSHR
SCHEMBL14368471 0.83 NPC1 (0.49) CSNK1EFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 — — EP disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 — — US disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 — — 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-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 CSNK1E 136/4885CSNK1D 134/4885FAAH 3094/4885

“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.

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