SCHEMBL6324917

SCHEMBL6324917

OCC1Cc2cccc3ccn(c23)C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.53
CDK4 P11802 7/20 0.44
CCND1 P24385 7/20 0.44
CCNE2 O96020 4/20 0.44
CCNE1 P24864 4/20 0.44
CDK2 P24941 4/20 0.44
NISCH Q9Y2I1 1/20 0.34
TRPM5 Q9NZQ8 1/20 0.33
DRD2 P14416 1/20 0.33
PARP1 P09874 1/20 0.31
BRD4 O60885 1/20 0.31
HTR3A P46098 2/20 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
SCHEMBL6327860 0.86 HTR1A (0.46) HTR1ACDK4CCND1CCNE2CCNE1
SCHEMBL23249531 0.79 HTR1A (0.54) HTR1ACDK4CCND1CCNE2CCNE1
SCHEMBL8657595 0.78 HTR1A (0.48) HTR1ACDK4CCND1CCNE2CCNE1
SCHEMBL23249326 0.76 HTR1A (0.54) HTR1ANISCHDRD2PARP1HTR3A
SCHEMBL6327725 0.74 HTR1A (0.46) HTR1ACDK4CCND1CCNE2CCNE1
SCHEMBL23261784 0.72 HTR1A (0.68) HTR1ANISCHDRD2
SCHEMBL23261645 0.72 DRD2 (0.57) HTR1ANISCHDRD2
SCHEMBL6356879 0.72 HTR1A (0.68) HTR1ANISCHDRD2
SCHEMBL23249314 0.72 HTR1A (0.68) HTR1ANISCHDRD2
SCHEMBL31635823 0.72 HTR1A (0.68) HTR1ANISCHDRD2

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 3572/4885CDK4 3/4885CCND1 116/4885
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases MKI67, CDKN1A, CDK1 HTR1A 3530/4885CDK4 5/4885CCND1 70/4885

“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.