SCHEMBL5826757

SCHEMBL5826757

Cc1nc2c(c(C)nn2-c2c(Cl)cc(Cl)cc2Cl)c(Cl)c1CCCl

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 17/20 0.54
CCND1 P24385 17/20 0.54
CCNE2 O96020 12/20 0.44
CCNE1 P24864 12/20 0.44
CDK2 P24941 12/20 0.44
CCNB2 O95067 2/20 0.42
CDK1 P06493 2/20 0.42
CCNB1 P14635 2/20 0.42
CCNB3 Q8WWL7 2/20 0.42
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL7964689 0.72 CDK4 (0.56) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL5827076 0.69 CDK4 (0.46) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL5826536 0.68 CDK4 (0.46) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL7937098 0.67 CRHR1 (0.46) CDK4CCND1HPGDKDM4EHSD17B10
SCHEMBL7967892 0.67 CDK4 (0.50) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL7965911 0.65 CRHR1 (0.63) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL7965323 0.64 CDK4 (0.61) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL11441262 0.63 L3MBTL1 (0.47) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL5826687 0.63 KDR (0.54) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL8113413 0.63 CDK4 (0.58) CDK4CCND1CCNE2CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6995163-B2 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it EISAI CO., LTD. (JP) 2006-02-07 US disclosed
US-6951865-B2 Fused heterotricyclic compounds, process for preparing the compounds and drugs containing the same EISAI CO., LTD. (JP) 2005-10-04 US disclosed
US-6927221-B2 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it EISAI CO., LTD. (JP) 2005-08-09 US disclosed
EP-1408040-B1 Tricyclic fused heterocyclic compounds as CRFantagonists EISAI CO LTD (JP) 2005-07-27 EP disclosed
EP-1238979-B1 FUSED HETEROTRICYCLIC COMPOUNDS, PROCESS FOR PREPARING THE COMPOUNDS AND DRUGS CONTAINING THE SAME EISAI CO LTD (JP) 2005-03-02 EP disclosed
US-20050004147-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it EISAI CO., LTD. 2005-01-06 US disclosed
US-20050004159-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it EISAI CO., LTD. 2005-01-06 US disclosed
EP-1408040-A1 Tricyclic fused heterocyclic compounds as CRFantagonists Eisai Co., Ltd. (JP) 2004-04-14 EP disclosed
US-20030078277-A1 Fused heterotricyclic compounds, process for preparing the compounds and drugs containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-04-24 US disclosed
EP-1238979-A1 FUSED HETEROTRICYCLIC COMPOUNDS, PROCESS FOR PREPARING THE COMPOUNDS AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-09-11 EP 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 (3 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-20030078277-A1 Fused heterotricyclic compounds, process for preparing the compounds and drugs containing the same NR3C2, CRHR1, CRHR2 CDK4 800/4885CCND1 1358/4885CCNE2 1060/4885
US-20050004159-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it CRHR2, CRHR1, NR3C2 CDK4 744/4885CCND1 792/4885CCNE2 549/4885
US-20050004147-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it CRHR2, CRHR1, NR3C2 CDK4 744/4885CCND1 792/4885CCNE2 549/4885

“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.