SCHEMBL6030299

SCHEMBL6030299

Cn1ccc2cc(F)cc(Br)c21

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.33
CDK4 P11802 5/20 0.33
CCND1 P24385 5/20 0.33
CCNE2 O96020 3/20 0.33
CCNE1 P24864 3/20 0.33
CDK2 P24941 3/20 0.33
MAOB P27338 2/20 0.32
CYP2A6 P11509 2/20 0.31
PIK3CB P42338 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 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
SCHEMBL6030519 0.82 KDM4E (0.38) PRKCICDK4CCND1CCNE2CCNE1
SCHEMBL29234948 0.78 ESR1 (0.34) PRKCICDK4CCND1CYP2A6PIK3CB
SCHEMBL15712762 0.78 PRKCI (0.48) PRKCICYP2A6PIK3CB
SCHEMBL31276705 0.78 CDK4 (0.35) PRKCICDK4CCND1CCNE2CCNE1
SCHEMBL12536131 0.78 CDK4 (0.39) PRKCICDK4CCND1CCNE2CCNE1
SCHEMBL6029602 0.77 MTNR1A (0.36) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL21725647 0.76 GRM2 (0.37) PRKCICDK4CCND1CCNE2CCNE1
SCHEMBL14745740 0.74 NR3C1 (0.30) PRKCI
SCHEMBL594433 0.72 CDK4 (0.36) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL21725650 0.72 XDH (0.46) PRKCICDK4CCND1CCNE2CCNE1

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
US-7109229-B2 Methods and compounds for treating proliferative diseases ELI LILLY AND COMPANY (US) 2006-09-19 US disclosed
EP-1325011-B1 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES LILLY CO ELI (US) 2004-05-06 EP disclosed
US-20040048915-A1 Methods and compounds for treating proliferative diseases ENGLER THOMAS ALBERT (US) 2004-03-11 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 (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-20040048915-A1 Methods and compounds for treating proliferative diseases CDK4, CCNI, CCNA1 PRKCI 596/4885CDK4 1/4885CCND1 32/4885

“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.