SCHEMBL1772134

SCHEMBL1772134

C=CCc1ccc(N)cc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.41
GABRB2 P47870 4/20 0.41
CASP1 P29466 2/20 0.39
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.36
TSHR P16473 2/20 0.36
HTT P42858 2/20 0.36
MAPK1 P28482 1/20 0.36
IMPDH2 P12268 1/20 0.36
POLB P06746 2/20 0.35
PRKCI P41743 1/20 0.34
XDH P47989 1/20 0.33
ACHE P22303 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL8911230 0.90 GABRA1 (0.35) GABRA1GABRB2CASP1MAPTGAA
SCHEMBL8911234 0.90 GABRA1 (0.35) GABRA1GABRB2CASP1MAPTGAA
SCHEMBL5548473 0.88 GABRA1 (0.42) GABRA1GABRB2MAPTGAATSHR
SCHEMBL31290769 0.86 GABRA1 (0.41) GABRA1GABRB2CASP1MAPTIMPDH2
SCHEMBL454406 0.86 GABRA1 (0.41) GABRA1GABRB2CASP1MAPTIMPDH2
Ethylene SCHEMBL27977906 0.86 GABRA1 (0.41) GABRA1GABRB2MAPTGAATSHR
Hydrochloric Acid SCHEMBL6307100 0.84 GABRA1 (0.39) GABRA1GABRB2CASP1MAPTGAA
SCHEMBL1334151 0.82 GABRA1 (0.41) GABRA1GABRB2MAPTGAATSHR
SCHEMBL7936360 0.81 CYP3A4 (0.46) GABRA1GABRB2CASP1MAPTGAA
SCHEMBL6004557 0.81 GABRA1 (0.50) GABRA1GABRB2CASP1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4604484-A WITH PROPYLENE IN PRESENCE OF ALUMINUM ANILIDE ETHYL CORPORATION (US) 1986-08-05 US claimed
US-20110112084-A9 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2011-05-12 US 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
EP-0099079-B1 CO-VULCANIZABLE COMPOSITIONS BASED ON FLUOROELASTOMERS AND POLYMERIC COMPOUNDS WITH A PERFLUOROETHERIC STRUCTURE AUSIMONT S.p.A. (IT) 1987-05-13 EP disclosed
US-4611045-A POLYURETHANES MODIFIED WITH CHAIN EXTENDERS ETHYL CORPORATION (US) 1986-09-09 US disclosed
US-4611045-A POLYURETHANES MODIFIED WITH CHAIN EXTENDERS ETHYL CORPORATION (US) 1986-09-09 US disclosed
US-4604484-A WITH PROPYLENE IN PRESENCE OF ALUMINUM ANILIDE ETHYL CORPORATION (US) 1986-08-05 US disclosed
US-4604484-A WITH PROPYLENE IN PRESENCE OF ALUMINUM ANILIDE ETHYL CORPORATION (US) 1986-08-05 US disclosed
US-4530969-A Vulcanized with peroxides MONTEDISON S.P.A. (IT) 1985-07-23 US disclosed
US-4440952-A POLYURETHANE CHAIN EXTENDER ETHYL CORPORATION (US) 1984-04-03 US disclosed
US-4440952-A POLYURETHANE CHAIN EXTENDER ETHYL CORPORATION (US) 1984-04-03 US disclosed
EP-0099079-A1 Co-vulcanizable compositions based on fluoroelastomers and polymeric compounds with a perfluoroetheric structure AUSIMONT S.p.A. (IT) 1984-01-25 EP disclosed
US-4324553-A OXIDATION COLOR DYES L'OREAL (FR) 1982-04-13 US 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 (4 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-20100069379-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods AR, NR5A1, PGR GABRA1 280/4885GABRB2 416/4885CASP1 4498/4885
US-20110112084-A9 Bicyclic androgen and progesterone receptor modulator compounds and methods AR, NR5A1, PGR GABRA1 280/4885GABRB2 416/4885CASP1 4498/4885
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 GABRA1 768/4885GABRB2 840/4885CASP1 4681/4885
US-20030130505-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods AR, NR5A1, PGR GABRA1 280/4885GABRB2 416/4885CASP1 4498/4885

“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.