SCHEMBL6649459

SCHEMBL6649459

CC1(C)CCc2ccc(N)cc2N1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
CA9 Q16790 1/20 0.50
AR P10275 15/20 0.44
APAF1 O14727 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PGR P06401 3/20 0.39
NR3C2 P08235 1/20 0.38

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
SCHEMBL16158285 0.80 AR (0.43) KDM4EMAPTARPGRNR3C2
SCHEMBL31243559 0.79 HTR2A (0.46) ARPGRNR3C2
SCHEMBL6649345 0.79 ESR1 (0.43) ARPGRNR3C2
SCHEMBL7156675 0.78 KDM4E (0.46) KDM4EMEN1GAAMAPTKMT2A
SCHEMBL23124039 0.75 AR (0.44) ARPGRNR3C2
SCHEMBL7154079 0.75 MAPT (0.49) MEN1MAPTKMT2ATDP1PGR
SCHEMBL29789835 0.75 AR (0.44) ARPGRNR3C2
SCHEMBL5331013 0.73 MAPT (0.46) KDM4EMEN1GAAMAPTKMT2A
SCHEMBL29789709 0.73 MAPT (0.46) KDM4EMEN1GAAMAPTKMT2A
SCHEMBL23123813 0.72 AR (0.38) ARPGRNR3C2

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040186132-A1 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2004-09-23 US 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-6667313-B1 High affinity and specificity LIGAND PHARMACEUTICALS INC. 2003-12-23 US disclosed
EP-0800519-B1 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2003-10-22 EP disclosed
US-20030149268-A1 8-substituted-6-trifluoromethyl-9-pyrido[3,2-g]quinoline compounds as androgen receptor modulators HAMANN LAWRENCE G (US) 2003-08-07 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
US-6448405-B1 COUPLING A 2-HALO-5-NITROBENZOIC ACID AND A 2-METHOXYPHENYL BORONIC ACID; CYCLIZING TO A NITROBENZOCOUMARIN; REDUCING TO THE AMINE; CONVERTING TO A COUMARINO(3,4-F)QUINOLINE; REDUCTION TO A 5H-CHROMENO(3,4-F)QUINOLINE LIGAND PHARMACEUTICALS INCORPORATED 2002-09-10 US disclosed
EP-1212322-A2 8-SUBSTITUTED-6-TRIFLUOROMETHYL-9-PYRIDO[3,2-G]QUINOLINE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS LIGAND PHARMACEUTICALS INCORPORATED (US) 2002-06-12 EP disclosed
EP-0918774-B9 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2002-04-10 EP disclosed
WO-1997049709-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-31 WO disclosed
US-5696130-A Tricyclic 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-5696127-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-09 US disclosed
US-5693647-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-02 US disclosed
US-5693646-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 (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-20040186132-A1 Steroid receptor modulator compounds and methods NR5A1, ESRRA, NR3C2 KDM4E 3167/4885MEN1 3750/4885GAA 4605/4885
US-20030149268-A1 8-substituted-6-trifluoromethyl-9-pyrido[3,2-g]quinoline compounds as androgen receptor modulators AR, SHBG, NR5A1 KDM4E 1493/4885MEN1 2750/4885GAA 4594/4885

“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.