SCHEMBL6478078

SCHEMBL6478078

O=C(NCc1ccncc1)c1ccc2[nH]c(-c3cc[nH]n3)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.48
MAPK3 P27361 2/20 0.47
MAPK1 P28482 2/20 0.47
ITK Q08881 2/20 0.45
PARP1 P09874 1/20 0.45
GAA P10253 1/20 0.44
MMP13 P45452 4/20 0.44
LMNA P02545 2/20 0.44
CYP3A4 P08684 2/20 0.44
HTT P42858 2/20 0.44
MAPK14 Q16539 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MMP2 P08253 1/20 0.43
STAT3 P40763 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
SCHEMBL5758728 0.92 ITK (0.54) MAPK3MAPK1ITKPARP1GAA
SCHEMBL5755623 0.90 ITK (0.55) NAMPTMAPK3MAPK1ITK
SCHEMBL5753564 0.88 MAPT (0.46) ITKLMNACYP3A4MAPK14SMN1; SMN2
SCHEMBL5755542 0.83 RIPK1 (0.44) ITKMMP13CYP3A4MMP2
SCHEMBL5754310 0.82 RAB9A (0.55) NAMPTITKGAALMNACYP3A4
SCHEMBL5756912 0.82 ITK (0.66) ITK
SCHEMBL5756790 0.81 RIPK1 (0.46) NAMPTITKGAACYP3A4SMN1; SMN2
SCHEMBL5755525 0.81 KDM4E (0.49) ITKLMNAHTT
SCHEMBL6486561 0.81 ITK (0.41) MAPK1ITKGAALMNAHTT
SCHEMBL5752904 0.81 ITK (0.55) ITKGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050032869-A1 Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PHARMACIA ITALIA S.P.A. (IT) 2005-02-10 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-20050032869-A1 Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K9, MAP3K20, MAP3K19 NAMPT 1257/4885MAPK3 148/4885MAPK1 204/4885

“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.