SCHEMBL6336580

SCHEMBL6336580

C#CC(C)(C)Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNB2 O95067 1/20 0.46
▸ CCNE2 O96020 1/20 0.46
▸ CDK1 P06493 1/20 0.46
▸ CDK4 P11802 1/20 0.46
▸ CCNB1 P14635 1/20 0.46
▸ CCND1 P24385 1/20 0.46
▸ CCNE1 P24864 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ CCNB3 Q8WWL7 1/20 0.46
▸ TSHR P16473 2/20 0.39
▸ SGMS2 Q8NHU3 1/20 0.37
▸ TDP1 Q9NUW8 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ CTSD P07339 1/20 0.36
▸ PTGS2 P35354 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ SLC6A2 P23975 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
SCHEMBL2176010 0.78 POLB (0.46) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL19260247 0.78 ALDH1A1 (0.39) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL10543231 0.78 POLB (0.46) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL1341564 0.77 SGMS2 (0.44) TSHRSGMS2TDP1ALDH1A1HSD17B10
SCHEMBL5808098 0.72 KDM4E (0.40) TSHRSGMS2TDP1ALDH1A1HSD17B10
SCHEMBL15638399 0.72 CCNB2 (0.40) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL248960 0.72 TSHR (0.48) TSHRTDP1ALDH1A1HSD17B10CTSD
SCHEMBL13258004 0.72 TSHR (0.48) TSHRTDP1ALDH1A1HSD17B10CTSD
SCHEMBL50034 0.72 TSHR (0.48) TSHRTDP1ALDH1A1HSD17B10CTSD
SCHEMBL9778062 0.71 TSHR (0.42) TSHRSGMS2TDP1ALDH1A1HSD17B10

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 33 patents — showing the first 20. 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-20040186132-A1 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2004-09-23 — — 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-6696459-B1 USING HIGH AFFINITY, HIGH SELECTIVITY QUINOLINE DERIVATIVESW LIGAND PHARMACEUTICALS INC. 2004-02-24 — — US disclosed
EP-1382597-A2 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. (US) 2004-01-21 — — EP disclosed
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases ELI LILLY AND COMPANY 2003-12-11 — — US disclosed
EP-0800519-B1 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2003-10-22 — — EP disclosed
US-20030092676-A1 Agents and method for the treatment of proliferative diseases ELI LILLY AND COMPANY 2003-05-15 — — US disclosed
US-6534516-B1 Method of affecting androgen receptor activity comprising the in vivo administration of a composition LIGAND PHARMACEUTICALS INCORPORATED 2003-03-18 — — US disclosed
WO-1997049709-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-31 — — WO disclosed
US-5696127-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-09 — — US disclosed
US-5696133-A ADMINISTERING COMPOUND WHICH MODULATES ACTIVITY OF PROGESTERONE RECEPTOR LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-09 — — US disclosed
US-5696130-A Tricyclic steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-09 — — US disclosed
US-5693646-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-02 — — US disclosed
US-5693647-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-02 — — US disclosed
US-5688808-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-11-18 — — US disclosed
US-5688810-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-11-18 — — US disclosed
EP-0800519-A1 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 1997-10-15 — — EP disclosed
WO-1996019458-A2 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 1996-06-27 — — WO 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 (3 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 CCNB2 34/4885CCNE2 161/4885CDK1 5/4885
US-20040186132-A1 Steroid receptor modulator compounds and methods NR5A1, ESRRA, NR3C2 CCNB2 2993/4885CCNE2 1890/4885CDK1 1502/4885
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases MKI67, CDKN1A, CDK1 CCNB2 26/4885CCNE2 117/4885CDK1 3/4885

“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.

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