SCHEMBL3250649

SCHEMBL3250649

COc1ccc(-c2n[nH]c3nc(Nc4ccc(F)cc4F)ccc23)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.47
MAPK14 Q16539 8/20 0.44
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
CRHBP P24387 1/20 0.41
RAB9A P51151 1/20 0.41
CRHR2 Q13324 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CLK1 P49759 1/20 0.41
ITK Q08881 1/20 0.40
TGFBR1 P36897 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
SCHEMBL3249327 0.89 MAPK9 (0.51) MAPK9MAPK14NPC1RAB9ASMN1; SMN2
SCHEMBL3253883 0.84 MAPK9 (0.47) MAPK9MAPK14NPC1RAB9ASMN1; SMN2
SCHEMBL13678697 0.82 MAPK9 (0.49) MAPK9MAPK14
SCHEMBL13678720 0.80 MAPK9 (0.56) MAPK9MAPK14
SCHEMBL3246016 0.80 MAPK9 (0.48) MAPK9MAPK14
SCHEMBL3246009 0.80 MAPK9 (0.48) MAPK9MAPK14
SCHEMBL3252013 0.78 MAPK9 (0.46) MAPK9MAPK14
SCHEMBL3246204 0.77 MAPK14 (0.47) MAPK9MAPK14
SCHEMBL3257122 0.77 MAPK9 (0.76) MAPK9MAPK14
SCHEMBL3249333 0.77 MAPK14 (0.55) MAPK9MAPK14

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 MAPK9 2483/4885MAPK14 2463/4885NPC1 2245/4885

“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.