SCHEMBL8994914

SCHEMBL8994914

O[C@H]1Cc2ccccc2[C@H]1Nc1cccc(C2CNc3ncc(Cl)cc32)n1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
MAPK1 P28482 3/20 0.35
MAPK10 P53779 1/20 0.34
TRPM5 Q9NZQ8 1/20 0.34
P2RX7 Q99572 1/20 0.32
IRAK4 Q9NWZ3 4/20 0.32
CNR1 P21554 3/20 0.32
CNR2 P34972 2/20 0.32
FLT3 P36888 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
SMO Q99835 1/20 0.32
CRHR1 P34998 1/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 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
SCHEMBL22963831 0.78 FLT3 (0.41) RPS6KB1MAPK1IRAK4CNR1FLT3
SCHEMBL13918462 0.74 JAK2 (0.44) AURKARPS6KB1MAPK1MAPK10IRAK4
SCHEMBL8941275 0.74 JAK2 (0.44) AURKARPS6KB1MAPK1MAPK10IRAK4
SCHEMBL8941007 0.74 JAK2 (0.44) AURKARPS6KB1MAPK1MAPK10IRAK4
SCHEMBL8994679 0.73 NR4A2 (0.32) IRAK4FLT3
SCHEMBL8989594 0.73 ESR1 (0.36) FLT3
SCHEMBL8990611 0.69 NTRK1 (0.40)
SCHEMBL3838995 0.66 CDK2 (0.42) AURKARPS6KB1MAPK1MAPK10P2RX7
SCHEMBL13918619 0.65 CCNT1 (0.42) IRAK4SLC6A4
SCHEMBL4797985 0.64 FADS1 (0.55) AURKARPS6KB1MAPK1MAPK10SLC6A4

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 AURKA 161/4885RPS6KB1 643/4885MAPK1 442/4885

“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.