SCHEMBL18572718

SCHEMBL18572718

O=C1CC2(CCCCC2)Oc2cnccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.54
ATM Q13315 3/20 0.54
HTT P42858 1/20 0.54
HASPIN Q8TF76 7/20 0.43
CCNC P24863 6/20 0.43
CDK8 P49336 6/20 0.43
CDK19 Q9BWU1 6/20 0.43
ALDH1A1 P00352 4/20 0.40
HPGD P15428 4/20 0.40
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL20747125 0.95 KDM4E (0.49) KDM4EATMHTTHASPINCCNC
SCHEMBL18572729 0.87 HASPIN (0.43) KDM4EATMHTTHASPINCCNC
SCHEMBL20747137 0.85 KDM4E (0.40) KDM4EATMHTTHASPINCCNC
SCHEMBL18572474 0.80 CCNC (0.49) KDM4EATMHASPINCCNCCDK8
SCHEMBL18572999 0.78 HASPIN (0.40) KDM4EATMHTTHASPINCCNC
SCHEMBL1115177 0.78 KDM4E (0.63) KDM4EATMHTTALDH1A1HPGD
SCHEMBL18571935 0.77 CCNC (0.52) HASPINCCNCCDK8CDK19ADRA1D
SCHEMBL1450415 0.76 ALDH1A1 (0.54) KDM4EHASPINCCNCCDK8CDK19
SCHEMBL11114131 0.76 ATM (0.64) KDM4EATMHTTALDH1A1ADRA1D
SCHEMBL18572347 0.74 CCNC (0.50) HASPINCCNCCDK8KMT2A

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
EP-3341376-B1 CONDENSED TRICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS FUNDACION DEL SECTOR PUBLICO ESTATAL CENTRO NAC DE INVESTIGACIONES ONCOLOGICAS CARLOS III F S P CNIO (ES) 2020-12-23 EP disclosed
US-10208056-B2 Condensed tricyclic compounds as protein kinase inhibitors Fundación Del Sector Público Estatal Centro Nacional De Investigaciones Oncológicas Carlos III (F.S.P. CNIO) (ES) 2019-02-19 US disclosed
WO-2017033019-A1 CONDENSED TRICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (CNIO) (ES) 2017-03-02 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-10208056-B2 Condensed tricyclic compounds as protein kinase inhibitors CDK8, CDK18, CDK2 KDM4E 1257/4885ATM 761/4885HTT 1440/4885

“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.