SCHEMBL3254571

SCHEMBL3254571

COc1ccc(CN2CCOCC2)cc1-c1n[nH]c2nc(Nc3ccc(F)cc3F)ccc12

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.53
PDE4B Q07343 2/20 0.49
CDK9 P50750 3/20 0.45
CDK1 P06493 2/20 0.45
CDK2 P24941 2/20 0.45
CASP3 P42574 1/20 0.45
CASP7 P55210 1/20 0.45
MAPK9 P45984 1/20 0.43
HTT P42858 1/20 0.41
CCNT1 O60563 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
SCHEMBL3253064 0.92 MAPK14 (0.46) MAPK14MAPK9
SCHEMBL3251945 0.91 MAPK14 (0.45) MAPK14PDE4BCDK9MAPK9CCNT1
SCHEMBL13678734 0.88 LRRK2 (0.49) MAPK14PDE4BCDK9CDK1CDK2
SCHEMBL3249333 0.86 MAPK14 (0.55) MAPK14MAPK9
SCHEMBL13678697 0.85 MAPK9 (0.49) MAPK14MAPK9
SCHEMBL3251993 0.84 MAPK14 (0.47) MAPK14CDK9MAPK9CCNT1
SCHEMBL3246016 0.83 MAPK9 (0.48) MAPK14MAPK9
SCHEMBL3252013 0.81 MAPK9 (0.46) MAPK14MAPK9
SCHEMBL13304497 0.80 FGFR1 (0.47) MAPK14
SCHEMBL3248769 0.80 KDR (0.51) MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833477-B1 PYRAZOLO-HETEROARYL COMPOUNDS USEFUL TO TREAT TNF-ALPHA AND IL-1 MEDIATED DISEASES NOVARTIS AG (CH) 2010-06-02 EP claimed
US-20090258874-A1 PYRAZOLO-HETEROARYL COMPOUNDS NOVARTIS AG (CH) 2009-10-15 US disclosed
US-20090258874-A1 PYRAZOLO-HETEROARYL COMPOUNDS NOVARTIS AG (CH) 2009-10-15 US disclosed
US-20090258874-A1 PYRAZOLO-HETEROARYL COMPOUNDS NOVARTIS AG (CH) 2009-10-15 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-20090258874-A1 PYRAZOLO-HETEROARYL COMPOUNDS IL1R1, IL1A, IL1B MAPK14 2463/4885PDE4B 2775/4885CDK9 1144/4885

“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.