SCHEMBL802132

SCHEMBL802132

CC(C)c1[nH]cc2cnccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.41
PIM1 P11309 4/20 0.41
GSK3B P49841 3/20 0.41
CDK2 P24941 2/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
ROCK2 O75116 1/20 0.41
CHEK2 O96017 1/20 0.41
CDK1 P06493 1/20 0.41
FGFR1 P11362 1/20 0.41
PRKACA P17612 1/20 0.41
RPS6KB1 P23443 1/20 0.41
MARK3 P27448 1/20 0.41
MAPK1 P28482 1/20 0.41
AKT1 P31749 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
CSNK1D P48730 1/20 0.41
GSK3A P49840 1/20 0.41

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
SCHEMBL801526 0.85 HASPIN (0.36) DYRK1APIM1GSK3BCDK2AURKA
SCHEMBL801525 0.72 GPR84 (0.37) HTR2AHTR2CHTR2B
SCHEMBL29959182 0.67 LMNA (0.40) DYRK1AGSK3BKDRRPS6KA3PRKCD
SCHEMBL12045006 0.67 LMNA (0.40) DYRK1AGSK3BKDRRPS6KA3PRKCD
SCHEMBL31345172 0.67 LMNA (0.40) DYRK1AGSK3BKDRRPS6KA3PRKCD
SCHEMBL2611046 0.67 DYRK1A (0.51) DYRK1APIM1GSK3BCDK2AURKA
SCHEMBL19976722 0.67 PRKAA1 (0.37) DYRK1APIM1GSK3BCDK2AURKA
SCHEMBL21941255 0.66 L3MBTL1 (0.47) PIM1AURKAMAPK1CSNK2A1PRKCZ
SCHEMBL21743425 0.64 CHUK (0.46) DYRK1APIM1GSK3BAURKANFATC1
SCHEMBL2607319 0.64 LMNA (0.53) ROCK2KDRPRKCZPRKCDROCK1

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-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 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-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 DYRK1A 75/4885PIM1 538/4885GSK3B 1/4885

“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.