SCHEMBL1771983

SCHEMBL1771983

CC(C)Oc1cc(C(F)(F)F)c2cc(NC(C)(C)C)ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 14/20 0.41
CCNE2 O96020 13/20 0.40
CCNE1 P24864 13/20 0.40
CDK4 P11802 6/20 0.40
CCND1 P24385 6/20 0.40
CCNA2 P20248 1/20 0.40
CCNA1 P78396 1/20 0.40
CDK1 P06493 1/20 0.38
AR P10275 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
GAK O14976 1/20 0.32

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
SCHEMBL1771860 0.84 CDK2 (0.48) CDK2CDK1MEN1CYP1A2POLB
SCHEMBL1771122 0.82 MEN1 (0.37) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL1771768 0.79 BACE1 (0.40) CDK2CCNE2CCNE1CDK1AR
SCHEMBL473978 0.79 NT5E (0.44) MEN1CYP1A2POLBCYP2D6CYP2C9
SCHEMBL1770890 0.78 CTSS (0.38) MEN1CYP1A2POLBCYP2D6CYP2C9
SCHEMBL7257613 0.77 BACE1 (0.54) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL1772467 0.76 RORC (0.40) CDK2CCNE2CCNE1CCNA2CCNA1
SCHEMBL474009 0.76 TDP1 (0.42) MEN1POLBCYP2C9KMT2ASMN1; SMN2
SCHEMBL27543786 0.75 TP53 (0.40) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL1771019 0.74 AR (0.43) AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030130505-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. 2003-07-10 US claimed
JP-2003508387-A 2003-03-04 JP claimed
EP-1212303-A2 BICYCLIC ANDROGEN AND PROGESTERONE RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2002-06-12 EP claimed
WO-2001016108-A2 BICYCLIC ANDROGEN AND PROGESTERONE RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2001-03-08 WO claimed
US-20110112084-A9 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2011-05-12 US disclosed
US-20100204216-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING AMYLOID-beta PROTEIN ACCUMULATION SUMMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-08-12 US disclosed
EP-2199284-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING ACCUMULATION OF AMYLOID- BETA PROTEIN Sumitomo Chemical Company, Limited (JP) 2010-06-23 EP disclosed
US-7696246-B2 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-04-13 US disclosed
US-20100069379-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2010-03-18 US disclosed
US-20050288350-A1 Useful in female hormone replacement therapy and as modulators of fertility; therapy of dysfunctional uterine bleeding, dysmenorrhea, endometriosis, leiomyomas (uterine fibroids), hot flashes, mood disorders, meningiomas, cancer; 6-(bis-2,2,2-Trifluoroethyl)amino-4-trifluoromethylcoumarin LIGAND PHARMACEUTICALS, INC. 2005-12-29 US disclosed
US-6964973-B2 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2005-11-15 US disclosed
US-20030130505-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. 2003-07-10 US disclosed
US-6566372-B1 Useful in female hormone replacement therapy and as modulators of fertility; therapy of dysfunctional uterine bleeding, dysmenorrhea, endometriosis, leiomyomas (uterine fibroids), hot flashes, mood disorders, meningiomas, cancer LIGAND PHARMACEUTICALS INCORPORATED 2003-05-20 US disclosed
EP-1212303-A2 BICYCLIC ANDROGEN AND PROGESTERONE RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2002-06-12 EP disclosed
WO-2001016108-A2 BICYCLIC ANDROGEN AND PROGESTERONE RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2001-03-08 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-20100204216-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING AMYLOID-beta PROTEIN ACCUMULATION APP, PSEN1, IAPP CDK2 4123/4885CCNE2 4733/4885CCNE1 4491/4885
US-20100069379-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods AR, NR5A1, PGR CDK2 484/4885CCNE2 1022/4885CCNE1 2272/4885
US-20110112084-A9 Bicyclic androgen and progesterone receptor modulator compounds and methods AR, NR5A1, PGR CDK2 484/4885CCNE2 1022/4885CCNE1 2272/4885
US-20050288350-A1 Useful in female hormone replacement therapy and as modulators of fertility; therapy of dysfunctional uterine bleeding, dysmenorrhea, endometriosis, leiomyomas (uterine fibroids), hot flashes, mood disorders, meningiomas, cancer; 6-(bis-2,2,2-Trifluoroethyl)amino-4-trifluoromethylcoumarin FSHR, CYP19A1, ESR2 CDK2 1217/4885CCNE2 292/4885CCNE1 1177/4885
US-20030130505-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods AR, NR5A1, PGR CDK2 484/4885CCNE2 1022/4885CCNE1 2272/4885

“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.