SCHEMBL3620667

SCHEMBL3620667

COCCN(C)c1ncc(-c2cc(-c3cc(C#N)c(C)[nH]3)ccn2)cn1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.37
PTK2 Q05397 1/20 0.33
MAPKAPK2 P49137 3/20 0.32
FLT3 P36888 1/20 0.32
FGFR3 P22607 1/20 0.32
ACVR1B P36896 2/20 0.32
TGFBR1 P36897 2/20 0.32
ACACB O00763 1/20 0.32
MAPK1 P28482 1/20 0.31
FGFR4 P22455 1/20 0.31
DYRK1A Q13627 1/20 0.31

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
SCHEMBL14283373 0.85 AOC3 (0.39) AOC3MAPKAPK2ACVR1BTGFBR1ACACB
SCHEMBL13408184 0.83 RET (0.38) AOC3MAPKAPK2
SCHEMBL3608562 0.78 RET (0.45)
Trifluoroacetic Acid SCHEMBL3611105 0.77 RET (0.35) ACACB
SCHEMBL3618292 0.75 MAPKAPK2 (0.53) MAPKAPK2TGFBR1DYRK1A
SCHEMBL3620527 0.74 PRKCQ (0.39) MAPKAPK2
SCHEMBL14283351 0.72 ROCK2 (0.35) AOC3MAPKAPK2TGFBR1MAPK1DYRK1A
SCHEMBL3611108 0.69 RET (0.35) MAPK1
SCHEMBL13408195 0.68 CDK9 (0.38) MAPKAPK2
SCHEMBL3614152 0.67 ACVR1B (0.52) ACVR1BTGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US claimed
EP-2069333-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES Novartis Ag (CH) 2009-06-17 EP claimed
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 WO claimed
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US disclosed
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 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-20100105664-A1 ORGANIC COMPOUNDS SLCO1B3, SLCO1B1, SLC10A6 AOC3 357/4885PTK2 4669/4885MAPKAPK2 4395/4885

“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.