SCHEMBL4508323

SCHEMBL4508323

CC(C)N1C(=O)C(C)(C)c2cc(N)c(N)cc21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MARK3 P27448 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PGR P06401 1/20 0.34
SLC9A1 P19634 2/20 0.33
MPI P34949 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 3/20 0.33
BRD4 O60885 1/20 0.32
CYP19A1 P11511 1/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A2 P23975 1/20 0.31
RARA P10276 1/20 0.30
RARB P10826 1/20 0.30
RARG P13631 1/20 0.30
MEN1 O00255 1/20 0.30
GLA P06280 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2490723 0.83 MPI (0.30) MPITDP1
SCHEMBL2488278 0.82 TDP1 (0.56) MPITDP1ALDH1A1MEN1KMT2A
SCHEMBL21218098 0.81 MARK3 (0.36) MARK3SMN1; SMN2PGRSLC9A1ALDH1A1
SCHEMBL5010350 0.80 ALDH1A1 (0.39) MARK3SMN1; SMN2PGRSLC9A1ALDH1A1
SCHEMBL15577510 0.80 CYP19A1 (0.38) MARK3SMN1; SMN2PGRSLC9A1ALDH1A1
SCHEMBL4506332 0.79 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1
SCHEMBL4950174 0.77 MPI (0.45) MPITDP1MEN1KMT2A
SCHEMBL20105148 0.77 SLC6A4 (0.39) MARK3SMN1; SMN2ALDH1A1SLC6A4SLC6A2
SCHEMBL17254682 0.77 SLC6A4 (0.39) MARK3SMN1; SMN2ALDH1A1SLC6A4SLC6A2
SCHEMBL16707142 0.77 BRD4 (0.40) BRD4SLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291968-A1 SUBSTITUTED INDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS GEORGES GUY 2009-11-26 US disclosed
EP-2001882-A1 SUBSTITUTED INDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. Hoffmann-La Roche AG (CH) 2008-12-17 EP disclosed
US-7462639-B2 e.g 3-(7,7-Dimethyl-6-oxo-1,5,6,7-tetrahydro-imidazo[4,5-f]indol-2-yl)-1H-pyrazol-4-yl]-carbamic acid benzyl ester; Aurora A (serotonin/threonine) kinase inhibitors; anticarcinogenic agent; colorectal, breast, lung, prostate, pancreatic, gastric, bladder, ovarian cancer, melanoma, neuroblastoma HOFFMANN-LA ROCHE INC. (US) 2008-12-09 US disclosed
EP-1885725-B1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2008-09-24 EP disclosed
CN-101160312-A Tricyclic azole derivatives, their preparation and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2008-04-09 CN disclosed
EP-1885725-A1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-02-13 EP disclosed
EP-1879894-A1 AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-01-23 EP disclosed
CN-101080408-A Trycyclic heterocycles, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2007-11-28 CN disclosed
US-7285569-B2 Tricycles, their manufacture and use as pharmaceutical agents HOFF HOFFMANN-LA ROCHE INC. (US) 2007-10-23 US disclosed
WO-2007107346-A1 SUBSTITUTED INDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 WO disclosed
EP-1831224-A2 TRYCYCLIC HETEROCYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. Hoffmann-Roche AG (CH) 2007-09-12 EP disclosed
EP-1793822-A1 TRICYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. Hoffmann-Roche AG (CH) 2007-06-13 EP disclosed
US-20060235065-A1 Aminopyrazole derivatives HOFFMANN-LA ROCHE INC. 2006-10-19 US disclosed
WO-2006108488-A1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 WO disclosed
WO-2006108489-A1 AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 WO disclosed
US-20060235013-A1 Tricyclic azole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 US disclosed
US-20060142247-A1 Tricyclic heterocycles HOFFMANN-LA ROCHE INC. 2006-06-29 US disclosed
WO-2006063841-A2 TRYCYCLIC HETEROCYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-22 WO disclosed
WO-2006032519-A1 TRICYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-30 WO disclosed
US-20060069145-A1 Tricycles, their manufacture and use as pharmaceutical agents F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2006-03-30 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 (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-20090291968-A1 SUBSTITUTED INDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS CYP3A43, CYP3A5, CYP3A7 MARK3 814/4885SMN1; SMN2 4281/4885PGR 1475/4885
US-20060235013-A1 Tricyclic azole derivatives CYP3A5, CYP3A43, CYP11B1 MARK3 2981/4885SMN1; SMN2 3734/4885PGR 1521/4885
US-20060235065-A1 Aminopyrazole derivatives CYP3A43, CYP3A5, CYP3A4 MARK3 701/4885SMN1; SMN2 3516/4885PGR 3413/4885
US-20060069145-A1 Tricycles, their manufacture and use as pharmaceutical agents ABCB1, CYP3A43, CYP3A5 MARK3 4282/4885SMN1; SMN2 3901/4885PGR 2112/4885
US-20060142247-A1 Tricyclic heterocycles CYP11B1, CYP11B2, CYP3A43 MARK3 4176/4885SMN1; SMN2 1869/4885PGR 1176/4885

“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.