SCHEMBL4875101

SCHEMBL4875101

C[C@H](Nc1ncc2cc(C(=O)c3ccc(F)cc3)n(-c3ccc(F)cc3)c2n1)C(C)(C)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.40
MAPK11 Q15759 3/20 0.40
MAPK13 O15264 2/20 0.40
MAPK12 P53778 2/20 0.40
CDK4 P11802 3/20 0.37
MAPK8 P45983 2/20 0.36
MAPK1 P28482 2/20 0.35
IRAK4 Q9NWZ3 4/20 0.35
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
CCNT1 O60563 1/20 0.33
CCND3 P30281 1/20 0.33
CDK9 P50750 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
SCHEMBL4875118 1.00 MAPK14 (0.40) MAPK14MAPK11MAPK13MAPK12CDK4
SCHEMBL4851254 0.90 MAPK14 (0.41) MAPK14MAPK11MAPK13MAPK12MAPK8
SCHEMBL4848607 0.89 MAPK14 (0.39) MAPK14MAPK11MAPK13MAPK12MAPK8
SCHEMBL4853763 0.89 MAPK14 (0.41) MAPK14MAPK11MAPK13MAPK12MAPK8
SCHEMBL4848602 0.89 MAPK14 (0.39) MAPK14MAPK11MAPK13MAPK12MAPK8
SCHEMBL4853753 0.89 MAPK14 (0.41) MAPK14MAPK11MAPK13MAPK12MAPK8
SCHEMBL4848256 0.88 MAPK14 (0.40) MAPK14MAPK11MAPK13MAPK12CDK4
SCHEMBL4848543 0.86 MAPK14 (0.46) MAPK14MAPK11MAPK13MAPK12MAPK1
SCHEMBL4848540 0.86 MAPK14 (0.46) MAPK14MAPK11MAPK13MAPK12MAPK1
SCHEMBL4856081 0.83 HDAC3 (0.43) MAPK14MAPK11MAPK13MAPK12MAPK8

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-20080139588-A1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors THE PROCTER & GAMBLE COMPANY 2008-06-12 US claimed
US-20080139588-A1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors THE PROCTER & GAMBLE COMPANY 2008-06-12 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-20080139588-A1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors DPYD, IL1B, IL6 MAPK14 2806/4885MAPK11 3788/4885MAPK13 2807/4885

“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.