SCHEMBL178695

SCHEMBL178695

NC(=O)c1cc(-c2ccccc2F)nc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.77
TYK2 P29597 3/20 0.59
JAK1 P23458 2/20 0.59
JAK3 P52333 2/20 0.59
AURKA O14965 1/20 0.55
LCK P06239 1/20 0.55
LYN P07948 1/20 0.55
KIT P10721 1/20 0.55
CDK2 P24941 1/20 0.55
TEC P42680 1/20 0.55
TXK P42681 1/20 0.55
BMX P51813 1/20 0.55
BTK Q06187 1/20 0.55
ITK Q08881 1/20 0.55

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
SCHEMBL139433 0.90 JAK2 (0.78) JAK2TYK2JAK1JAK3
SCHEMBL140821 0.90 JAK2 (0.75) JAK2TYK2JAK1JAK3BTK
SCHEMBL141707 0.88 JAK2 (0.83) JAK2TYK2JAK1JAK3
SCHEMBL143692 0.87 JAK2 (1.00) JAK2TYK2JAK1JAK3
SCHEMBL141533 0.86 JAK2 (0.85) JAK2
SCHEMBL142555 0.85 JAK2 (0.81) JAK2TYK2JAK1JAK3
SCHEMBL144076 0.85 JAK2 (0.86) JAK2TYK2JAK1JAK3
SCHEMBL139476 0.84 JAK2 (0.78) JAK2TYK2JAK1JAK3
SCHEMBL178680 0.84 JAK2 (0.82) JAK2
SCHEMBL142261 0.84 JAK2 (0.87) JAK2

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-8815840-B2 Carbazole and carboline kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-26 US disclosed
US-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 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-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS JAK2, JAK1, JAK3 JAK2 1/4885TYK2 5/4885JAK1 2/4885

“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.