SCHEMBL13558462

SCHEMBL13558462

Cc1ccc(-n2nc(C(C)C)cc2NC(=O)n2ccnc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 5/20 0.57
KCNJ5 P48544 5/20 0.57
KCNJ3 P48549 5/20 0.57
PTK2 Q05397 5/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C8 P10632 1/20 0.48
MAPK14 Q16539 6/20 0.47
MAPK12 P53778 4/20 0.47
MAPK13 O15264 3/20 0.47
MAPK11 Q15759 2/20 0.47
CDK8 P49336 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DDR2 Q16832 1/20 0.41
HCK P08631 2/20 0.41
SRC P12931 1/20 0.41
TNF P01375 1/20 0.40

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
SCHEMBL13558463 0.84 PTK2 (0.67) PTK2CYP2D6CYP2C9CYP2C8MAPK14
SCHEMBL13331031 0.83 PTK2 (0.50) PTK2CYP2D6CYP2C9CYP2C8MAPK14
SCHEMBL15484911 0.80 KCNJ6 (0.70) KCNJ6KCNJ5KCNJ3PTK2CYP2D6
SCHEMBL13558465 0.80 PTK2 (0.56) PTK2CYP2D6CYP2C9CYP2C8MAPK14
SCHEMBL13331032 0.80 PTK2 (0.47) KCNJ6KCNJ5KCNJ3PTK2CYP2D6
SCHEMBL15720178 0.78 CDK8 (0.67) KCNJ6KCNJ5KCNJ3PTK2CYP2D6
SCHEMBL13331034 0.73 MAPK14 (0.49) PTK2CYP2D6CYP2C9CYP2C8MAPK14
SCHEMBL15490413 0.71 KCNJ6 (0.65) KCNJ6KCNJ5KCNJ3MAPK14MAPK12
SCHEMBL13558468 0.70 PTK2 (0.50) PTK2CYP2D6CYP2C9CYP2C8MAPK14
SCHEMBL6805489 0.67 PTK2 (0.72) PTK2CYP2D6CYP2C9CYP2C8MAPK14

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-8299074-B2 P38 MAP kinase inhibitors RESPIVERT LTD. (GB) 2012-10-30 US disclosed
US-20110312963-A1 P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2011-12-22 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-20110312963-A1 P38 MAP KINASE INHIBITORS MAPKAPK2, MAPK1, MAPKAPK3 KCNJ6 3744/4885KCNJ5 3811/4885KCNJ3 3644/4885

“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.