SCHEMBL8994597

SCHEMBL8994597

CC(=O)N1CCN(c2cc(-c3nnn[nH]3)cc(-c3c[nH]c4ncc(Cl)cc34)n2)C[C@@H]1C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.37
KIT P10721 6/20 0.34
WNT3A P56704 4/20 0.34
CYP3A4 P08684 1/20 0.33
ROCK1 Q13464 1/20 0.33
BRD4 O60885 1/20 0.33
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33
PBRM1 Q86U86 1/20 0.33
JAK2 O60674 1/20 0.33

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
SCHEMBL8940725 0.90 JAK2 (0.34) JAK3CYP3A4ROCK1JAK2
SCHEMBL8986181 0.85 JAK3 (0.36) JAK3KITWNT3ABRD4SMARCA2
SCHEMBL8940862 0.76 JAK2 (0.34) JAK3CYP3A4ROCK1JAK2
SCHEMBL8940767 0.74 JAK2 (0.34) JAK3JAK2
SCHEMBL8940454 0.72 JAK2 (0.38) JAK3CYP3A4ROCK1JAK2
SCHEMBL8940702 0.72 MAP3K11 (0.39) JAK3JAK2
SCHEMBL8940882 0.72 JAK3 (0.36) JAK3KITCYP3A4ROCK1JAK2
SCHEMBL8941163 0.72 NTRK1 (0.38) JAK3KITCYP3A4ROCK1JAK2
SCHEMBL8940227 0.70 JAK2 (0.42) JAK3CYP3A4ROCK1JAK2
SCHEMBL13887797 0.69 CYP3A4 (0.43) JAK3CYP3A4ROCK1JAK2

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-8188281-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-20090176763-A1 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 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-20090176763-A1 Azaindoles useful as inhibitors of JAK and other protein kinases JAK3, JAK2, JAK1 JAK3 1/4885KIT 804/4885WNT3A 2076/4885

“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.