SCHEMBL4182780

SCHEMBL4182780

N#Cc1cc(-c2cccc(Cl)c2)ccc1N.[N]

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
ADORA2A P29274 3/20 0.49
ADORA1 P30542 3/20 0.49
ADORA2B P29275 2/20 0.49
PGR P06401 1/20 0.49
PRKACA P17612 4/20 0.47
PRKACG P22612 4/20 0.47
PRKACB P22694 4/20 0.47
TAAR1 Q96RJ0 1/20 0.46
HPGD P15428 1/20 0.45
ALOX5 P09917 1/20 0.43
BACE1 P56817 1/20 0.43
MAOB P27338 2/20 0.42
JAK2 O60674 1/20 0.42
MAP4K4 O95819 3/20 0.41

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
SCHEMBL4168666 0.98 KDM4E (0.55) KDM4EALDH1A1GAAADORA2AADORA1
SCHEMBL3274518 0.82 MCL1 (0.51) KDM4EALDH1A1GAAPRKACAPRKACG
SCHEMBL5072719 0.82 TDP1 (0.48) KDM4EALDH1A1GAAPRKACAPRKACG
SCHEMBL5302056 0.80 MCL1 (0.50) KDM4EALDH1A1GAAADORA1PRKACA
SCHEMBL3879887 0.78 TAAR1 (0.55) KDM4EADORA2AADORA1ADORA2BPRKACA
SCHEMBL164458 0.78 TSHR (0.52) KDM4EALDH1A1GAAHPGDMAOB
SCHEMBL29462390 0.78 TSHR (0.52) KDM4EALDH1A1GAAHPGDMAOB
SCHEMBL11067120 0.75 KMT2A (0.48) KDM4EALDH1A1GAAADORA2AADORA1
SCHEMBL11067117 0.75 KMT2A (0.48) KDM4EALDH1A1GAAADORA2AADORA1
SCHEMBL31037588 0.74 CYP3A4 (0.46) KDM4EALDH1A1PRKACAPRKACGPRKACB

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111802-A1 CYCLOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS WYETH (US) 2009-04-30 US disclosed
US-7488822-B2 Cyclocarbamate derivatives as progesterone receptor modulators WYETH (US) 2009-02-10 US disclosed
US-20040186101-A1 Cyclocarbamate derivatives as progesterone receptor modulators WYETH 2004-09-23 US disclosed
EP-1173210-B1 CONTRACEPTIVE COMPOSITIONS CONTAINING ANTIPROGESTINIC AND PROGESTINIC WYETH CORP (US) 2004-09-15 EP disclosed
US-6759408-B2 CYCLIC COMBINATION THERAPIES AND REGIMENS UTILIZING SUBSTITUTED INDOLINE DERIVATIVE COMPOUNDS WHICH ARE ANTAGONISTS OF THE PROGESTERONE RECEPTOR WYETH 2004-07-06 US disclosed
US-6713478-B2 SUCH AS 8-BROMO-6-(3-CHLORO-4-FLUOROPHENYL)-4,4-DIMETHYL-1,4-DIHYDRO-2H-3,1 -BENZOXAZIN-2-ONE; PROGESTERONE RECEPTOR ANTAGONISTS WYETH 2004-03-30 US disclosed
US-20030216388-A1 Cyclocarbamate derivatives as progesterone receptor modulators WYETH 2003-11-20 US disclosed
US-6566358-B2 1,4-dihydro-benzo(d)oxazin-2-one derivatives useful for treating hormone-dependent neoplastic disease is selected from uterine myometrial fibroids, endometriosis, benign prostatic hypertrophy, carcinomas, and adenocarcinoma WYETH 2003-05-20 US disclosed
US-20030045511-A1 Combination regimens using progesterone receptor modulators WYETH 2003-03-06 US disclosed
US-6509334-B1 This invention relates to compounds that antagonists of the progesterone receptor, their preparation and utility. Intracellular receptors (IR) form a class of structurally related gene regulators known as \"ligand dependent AMERICAN HOME PRODUCTS CORPORATION 2003-01-21 US disclosed
US-6444668-B1 IN COMBINATION WITH A PROGESTIN, AN ESTROGEN, OR BOTH; ANTIPROGESTIN IS A 1,4-DIHYDRO-BENZO(D)(1.3)OXAZIN-2-ONE WYETH 2002-09-03 US disclosed
US-20020049204-A1 Cyclocarbamate derivatives as progesterone receptor modulators WYETH 2002-04-25 US disclosed
EP-1173426-A1 CYCLOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS American Home Products Corporation (US) 2002-01-23 EP disclosed
EP-1173210-A1 CONTRACEPTIVE COMPOSITIONS CONTAINING ANTIPROGESTINIC AND PROGESTINIC American Home Products Corporation (US) 2002-01-23 EP disclosed
WO-2000066164-A1 CONTRACEPTIVE COMPOSITIONS CONTAINING ANTIPROGESTINIC AND PROGESTINIC AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 WO disclosed
WO-2000066571-A1 CYCLOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 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 (5 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-20030045511-A1 Combination regimens using progesterone receptor modulators GNRHR, PGR, PRLHR KDM4E 2212/4885ALDH1A1 1981/4885GAA 4883/4885
US-20030216388-A1 Cyclocarbamate derivatives as progesterone receptor modulators NR3C2, NR5A1, PGR KDM4E 2864/4885ALDH1A1 2833/4885GAA 4878/4885
US-20020049204-A1 Cyclocarbamate derivatives as progesterone receptor modulators NR3C1, NR5A1, CNR1 KDM4E 2390/4885ALDH1A1 1401/4885GAA 4803/4885
US-20040186101-A1 Cyclocarbamate derivatives as progesterone receptor modulators PGR, NR3C2, NR5A1 KDM4E 2894/4885ALDH1A1 2671/4885GAA 4871/4885
US-20090111802-A1 CYCLOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS PGR, NR5A1, NR3C1 KDM4E 3260/4885ALDH1A1 3329/4885GAA 4870/4885

“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.