SCHEMBL6327725

SCHEMBL6327725

CC(C)(C)[Si](C)(C)OCC1Cc2cccc3ccn(c23)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.46
NISCH Q9Y2I1 1/20 0.33
TOP2A P11388 1/20 0.31
DUT P33316 1/20 0.31
DRD2 P14416 1/20 0.30
CCNE2 O96020 1/20 0.30
CDK4 P11802 1/20 0.30
CCND1 P24385 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30

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
SCHEMBL8657595 0.76 HTR1A (0.48) HTR1ADRD2CCNE2CDK4CCND1
SCHEMBL6324917 0.74 HTR1A (0.53) HTR1ANISCHDRD2CCNE2CDK4
SCHEMBL6326991 0.72 FKBP1A (0.33) CDK4CCND1
SCHEMBL3429771 0.71 HTR1A (0.38) HTR1ATOP2ADUTDRD2
SCHEMBL8563909 0.68 MTNR1A (0.53) NISCHTOP2A
SCHEMBL8563914 0.68 MTNR1A (0.53) NISCHTOP2A
SCHEMBL23857280 0.68 CYP19A1 (0.34) TOP2ADRD2
SCHEMBL30048557 0.68 CYP19A1 (0.34) TOP2ADRD2
SCHEMBL17799397 0.66 MTNR1A (0.47) TOP2ADUT
SCHEMBL8563185 0.66 MTNR1A (0.47) TOP2ADUT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867198-B2 Agents and methods for the treatment of proliferative diseases ELI LILLY AND COMPANY (US) 2005-03-15 US disclosed
US-6743785-B2 KINASE INHIBITORS; ANNULATED PYRROLE AND INDOLE RINGS; PYRROLO (3,2,1-HI)INDOLES; 3-(5,5-DIMETHYL-5,6-DIHYDRO-4H-PYRROLO (3,2,1-IJ)QUINOLIN-1-YL)-4-(1,2,3,4-TETRAHYDRO-(1,4) DIAZEPINO(6,7,1-HI)INDOL-7-YL)-PYRROLE-2,5-DIONE ELI LILLY AND COMPANY 2004-06-01 US disclosed
EP-1250334-B1 Medicaments useful for the treatment of proliferative diseases LILLY CO ELI (US) 2004-05-19 EP disclosed
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases ELI LILLY AND COMPANY 2003-12-11 US disclosed
US-20030092676-A1 Agents and method for the treatment of proliferative diseases ELI LILLY AND COMPANY 2003-05-15 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 (2 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-20030092676-A1 Agents and method for the treatment of proliferative diseases MKI67, CDKN1A, CDK4 HTR1A 3572/4885NISCH 3209/4885TOP2A 213/4885
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases MKI67, CDKN1A, CDK1 HTR1A 3530/4885NISCH 3964/4885TOP2A 288/4885

“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.