SCHEMBL3246204

SCHEMBL3246204

COc1ccc(N2CCN(C)CC2)cc1-c1n[nH]c2nc(Nc3ccc(F)cc3F)ccc12

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.47
TNK2 Q07912 4/20 0.46
MAPK7 Q13164 2/20 0.46
LRRK2 Q5S007 1/20 0.46
MAPK9 P45984 1/20 0.46
FGFR4 P22455 1/20 0.42
PTK2 Q05397 1/20 0.41
CSF1R P07333 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
SCHEMBL3249333 0.91 MAPK14 (0.55) MAPK14LRRK2MAPK9FGFR4
SCHEMBL3253064 0.87 MAPK14 (0.46) MAPK14MAPK9
SCHEMBL3253981 0.84 MAPK14 (0.46) MAPK14MAPK9
SCHEMBL3249327 0.82 MAPK9 (0.51) MAPK14MAPK9
SCHEMBL13678697 0.81 MAPK9 (0.49) MAPK14MAPK9
SCHEMBL3251945 0.79 MAPK14 (0.45) MAPK14MAPK9
SCHEMBL13678720 0.79 MAPK9 (0.56) MAPK14MAPK9FGFR4
SCHEMBL3246009 0.79 MAPK9 (0.48) MAPK14MAPK9
SCHEMBL3246016 0.79 MAPK9 (0.48) MAPK14MAPK9
SCHEMBL13678701 0.79 FGFR1 (0.47) FGFR4PTK2

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 3 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

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 2463/4885TNK2 901/4885MAPK7 2839/4885

“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.