SCHEMBL1298541

SCHEMBL1298541

NC(=O)c1cc(F)cn1N

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.36
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
DGAT1 O75907 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
PARP2 Q9UGN5 1/20 0.30
PARP3 Q9Y6F1 1/20 0.30

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
SCHEMBL1298788 0.76 CA12 (0.38)
SCHEMBL4051746 0.74 PARP1 (0.36) PARP1CCNCCDK8
SCHEMBL1298662 0.74 MAPK1 (0.38) PARP1CCNCCDK8
SCHEMBL22828749 0.74 PARP1 (0.36) PARP1CCNCCDK8DGAT1
SCHEMBL15527959 0.72 CA12 (0.43)
SCHEMBL1299113 0.68 SMN1; SMN2 (0.48)
SCHEMBL1299358 0.67 CA12 (0.41)
SCHEMBL9357301 0.60 TYR (0.34) CCNCCDK8
SCHEMBL1269750 0.59
SCHEMBL7077548 0.59 PARP1 (0.60) PARP1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2011-11-03 US disclosed
WO-2010002472-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2010-01-07 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-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 PARP1 1676/4885CCNC 910/4885CDK8 255/4885

“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.