SCHEMBL6329855

SCHEMBL6329855

COC(=O)C1Cc2cccc3ccn(c23)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.48
BRD4 O60885 1/20 0.40
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 3/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL26266642 0.75 HTR1A (0.58) HTR1ABRD4KMT2AALDH1A1HPGD
SCHEMBL31635835 0.74 EPHX2 (0.49) HTR1ABRD4KMT2A
SCHEMBL8657595 0.73 HTR1A (0.48) HTR1AKMT2AALDH1A1HPGDKDM4E
SCHEMBL31649518 0.73 DRD2 (0.57) HTR1A
SCHEMBL29519648 0.70 KMT2A (0.54) BRD4KMT2AALDH1A1HPGDMEN1
SCHEMBL857083 0.70 KMT2A (0.54) BRD4KMT2AALDH1A1HPGDMEN1
SCHEMBL31649723 0.70 HTR1A (0.54) HTR1AKMT2AALDH1A1HPGDKDM4E
SCHEMBL3059812 0.70 HTR1A (0.41) HTR1AKMT2AALDH1A1HPGDKDM4E
SCHEMBL6324917 0.70 HTR1A (0.53) HTR1ABRD4
SCHEMBL31635823 0.70 HTR1A (0.68) HTR1A

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 3572/4885BRD4 785/4885KMT2A 1270/4885
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases MKI67, CDKN1A, CDK1 HTR1A 3530/4885BRD4 888/4885KMT2A 1297/4885

“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.