SCHEMBL6334445

SCHEMBL6334445

CC1(C)CCN(N)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.42
HTR2C P28335 1/20 0.40
KDM4E B2RXH2 3/20 0.36
ATM Q13315 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
P2RY1 P47900 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 1/20 0.36
HSD11B1 P28845 1/20 0.35
CNR2 P34972 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL13068160 0.80 NOTUM (0.53) NOTUMHTR2CKDM4EATMMEN1
SCHEMBL1451551 0.78 NOTUM (0.43) NOTUMHTR2CKDM4EATMGABRA1
SCHEMBL30519847 0.78 NOTUM (0.43) NOTUMHTR2CKDM4EATMGABRA1
SCHEMBL28035819 0.77 NOTUM (0.42) NOTUMHTR2CKDM4EATMGABRA1
SCHEMBL28293891 0.77 NOTUM (0.42) NOTUMHTR2CKDM4EATMGABRA1
SCHEMBL1572418 0.77 ADRA2C (0.47) NOTUMHTR2CKDM4EGABRA1GABRB2
SCHEMBL2625755 0.74 RARA (0.48) NOTUMHTR2CKDM4EGABRA1GABRB2
SCHEMBL13227696 0.74 HTR2C (0.41) NOTUMHTR2CKDM4EGABRA1GABRB2
SCHEMBL13209366 0.74 NOTUM (0.40) NOTUMHTR2CKDM4EATMGABRA1
SCHEMBL21051639 0.73 NOTUM (0.42) NOTUMHTR2CKDM4EGABRA1GABRB2

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 12 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
EP-0805157-B1 INDOLE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES (JP) 2003-06-04 EP disclosed
US-20030092676-A1 Agents and method for the treatment of proliferative diseases ELI LILLY AND COMPANY 2003-05-15 US disclosed
CN-1093862-C Indole derivatives and medical use thereof TORAY INDUSTRIES (JP) 2002-11-06 CN disclosed
EP-1250334-A2 AGENTS AND METHODS FOR THE TREATMENT OF PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2002-10-23 EP disclosed
WO-2001044235-A2 AGENTS AND METHODS FOR THE TREATMENT OF PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2001-06-21 WO disclosed
US-5849731-A Indole derivatives and medical application thereof TORAY INDUSTRIES, INC. (JP) 1998-12-15 US disclosed
CN-1165517-A Indole derivatives and medical use thereof TORAY INDUSTRIES (JP) 1997-11-19 CN disclosed
EP-0805157-A1 INDOLE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1997-11-05 EP 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 NOTUM 3995/4885HTR2C 4329/4885KDM4E 2855/4885
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases MKI67, CDKN1A, CDK1 NOTUM 4400/4885HTR2C 4346/4885KDM4E 2625/4885

“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.