SCHEMBL6324923

SCHEMBL6324923

COC(=O)C1=Cc2cccc3ccn(c23)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
CA12 O43570 11/20 0.40
CA9 Q16790 11/20 0.40
LMNA P02545 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
THRB P10828 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
ALOX15 P16050 1/20 0.34
CA2 P00918 3/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33

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
SCHEMBL8871852 0.70 CHRM3 (0.39) ALDH1A1TSHRCA12CA9LMNA
SCHEMBL10647946 0.69 CA12 (0.40) KMT2ATSHRCA12CA9LMNA
SCHEMBL31635833 0.69 PARP1 (0.34) KMT2AKDM4EMEN1ALDH1A1GLA
SCHEMBL6327672 0.67 TRPA1 (0.36) KMT2AKDM4EMEN1ALDH1A1GLA
SCHEMBL1093499 0.64 LMNA (0.44) KMT2AKDM4EALDH1A1TSHRCA12
SCHEMBL5600204 0.63 CA12 (0.59) CA12CA9ALOX15CA2
SCHEMBL29476751 0.63 CA12 (0.59) CA12CA9ALOX15CA2
SCHEMBL31090834 0.62 CA12 (0.50) KDM4EALDH1A1HPGDTSHRCA12
SCHEMBL7911204 0.62 CA12 (0.50) KDM4EALDH1A1HPGDTSHRCA12
SCHEMBL7385174 0.61 ALDH1A1 (0.42) ALDH1A1HPGDTSHRCA12CA9

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 KMT2A 1270/4885KDM4E 2855/4885MEN1 976/4885
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases MKI67, CDKN1A, CDK1 KMT2A 1297/4885KDM4E 2625/4885MEN1 1126/4885

“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.