SCHEMBL669630

SCHEMBL669630

COc1cc2c(cn1)CC(=O)N2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 1/20 0.44
KDR P35968 11/20 0.43
PLK1 P53350 13/20 0.42
CMA1 P23946 2/20 0.41
AHR P35869 2/20 0.41
INSR P06213 3/20 0.40
PTK2 Q05397 1/20 0.40
AURKB Q96GD4 1/20 0.40
EGFR P00533 1/20 0.40
SRC P12931 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40

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
SCHEMBL30993146 0.85 CYP11B1 (0.46) PDE3BPDE3A
SCHEMBL26604838 0.83 MAPT (0.42)
Acetic Acid SCHEMBL26604909 0.79 CYP11B1 (0.44)
SCHEMBL19153946 0.77 AHR (0.44) EIF2AK2KDRPLK1CMA1AHR
SCHEMBL24127411 0.75 CHRNB2 (0.37) KDRPLK1EGFRSRCPDE3B
SCHEMBL30133714 0.75 CHRNB2 (0.37) KDRPLK1EGFRSRCPDE3B
SCHEMBL8344102 0.75 CYP11B1 (0.49) PDE3BPDE3A
SCHEMBL16291500 0.75 SMYD3 (0.43) EIF2AK2KDRPLK1INSRPTK2
SCHEMBL29878803 0.75 SMYD3 (0.43) EIF2AK2KDRPLK1INSRPTK2
SCHEMBL1898056 0.75 CYP1A2 (0.58) PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012022707-A1 SUBSTITUTED HETEROARYL SPIROPYRROLIDINE MDM2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-23 WO disclosed
US-20110201629-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-18 US disclosed
WO-2011092293-A2 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-04 WO 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-20110201629-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS CRHR1, CRHR2, CRH EIF2AK2 1976/4885KDR 1054/4885PLK1 4833/4885

“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.