SCHEMBL3523946

SCHEMBL3523946

Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2CC2CN(Cc3ccccc3)CCO2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.47
CYP2C9 P11712 4/20 0.47
MAPK13 O15264 5/20 0.45
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
ABL1 P00519 1/20 0.41

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
SCHEMBL4225095 0.87 MAPK13 (0.53) MAPK14CYP2C9MAPK13ABL1
SCHEMBL3523606 0.85 MAPK14 (0.62) MAPK14CYP2C9MAPK13ABL1
SCHEMBL3523173 0.85 MAPK14 (0.60) MAPK14CYP2C9MAPK13ABL1
SCHEMBL4230157 0.81 MAPK14 (0.51) MAPK14CYP2C9MAPK13ABL1
SCHEMBL4215052 0.80 MAPK13 (0.55) MAPK14CYP2C9MAPK13
SCHEMBL3527657 0.80 MAPK14 (0.49) MAPK14CYP2C9MAPK13
SCHEMBL3525483 0.80 MAPK14 (0.53) MAPK14CYP2C9MAPK13ABL1
SCHEMBL4221677 0.79 MAPK13 (0.51) MAPK14CYP2C9MAPK13DRD4
SCHEMBL4217134 0.79 MAPK14 (0.49) MAPK14CYP2C9MAPK13ABL1
SCHEMBL4225025 0.79 MAPK13 (0.53) MAPK14CYP2C9MAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687532-B2 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of I.A. rheumatoid arthritis GLAXOSMITHKLINE LLC (US) 2010-03-30 US claimed
US-20070142372-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthritis GLAXOSMITHKLINE LLC 2007-06-21 US claimed
US-7687532-B2 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of I.A. rheumatoid arthritis GLAXOSMITHKLINE LLC (US) 2010-03-30 US disclosed
US-7687532-B2 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of I.A. rheumatoid arthritis GLAXOSMITHKLINE LLC (US) 2010-03-30 US disclosed
US-7687532-B2 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of I.A. rheumatoid arthritis GLAXOSMITHKLINE LLC (US) 2010-03-30 US disclosed
US-20070142372-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthritis GLAXOSMITHKLINE LLC 2007-06-21 US disclosed
US-20070142372-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthritis GLAXOSMITHKLINE LLC 2007-06-21 US disclosed
US-20070142372-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthritis GLAXOSMITHKLINE LLC 2007-06-21 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-20070142372-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthritis CNKSR1, MAPK1, MAPK7 MAPK14 10/4885CYP2C9 2849/4885MAPK13 19/4885

“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.