SCHEMBL1141340

SCHEMBL1141340

Brc1ccc(C2(N3CCCC3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.55
GRIN2A Q12879 3/20 0.55
GRIN2B Q13224 3/20 0.55
SIGMAR1 Q99720 3/20 0.55
PRCP P42785 3/20 0.55
GRIN2D O15399 1/20 0.55
GRIN3B O60391 1/20 0.55
CYP2B6 P20813 1/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A4 P31645 1/20 0.55
SLC6A3 Q01959 1/20 0.55
KCNH2 Q12809 1/20 0.55
GRIN2C Q14957 1/20 0.55
GRIN3A Q8TCU5 1/20 0.55
OPRM1 P35372 2/20 0.53
OPRD1 P41143 2/20 0.53
HSD11B1 P28845 2/20 0.42
HPGD P15428 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL25053839 0.87 GRIN1 (0.44) GRIN1GRIN2AGRIN2BSIGMAR1PRCP
SCHEMBL3228513 0.82 HSD11B1 (0.46) GRIN1GRIN2AGRIN2BSIGMAR1PRCP
SCHEMBL20918712 0.82 GRIN1 (0.42) GRIN1GRIN2AGRIN2BSIGMAR1PRCP
SCHEMBL19869969 0.82 ALDH1A1 (0.44) GRIN1GRIN2AGRIN2BSIGMAR1PRCP
SCHEMBL24762646 0.82 HSD11B1 (0.39) GRIN1GRIN2AGRIN2BSIGMAR1PRCP
SCHEMBL18580036 0.82 MMP2 (0.48) GRIN1GRIN2AGRIN2BSIGMAR1PRCP
SCHEMBL29147700 0.81 SIGMAR1 (0.44) GRIN1GRIN2AGRIN2BSIGMAR1PRCP
SCHEMBL13535855 0.80 HSD11B1 (0.40) GRIN1GRIN2AGRIN2BSIGMAR1PRCP
SCHEMBL8352151 0.79 GRIN1 (0.56) GRIN1GRIN2AGRIN2BSIGMAR1PRCP
SCHEMBL19634059 0.78 GRIN1 (0.84) GRIN1GRIN2AGRIN2BSIGMAR1PRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007774-B1 THIAZOLYLDIHYDROINDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-07-25 EP disclosed
EP-2007774-B1 THIAZOLYLDIHYDROINDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-07-25 EP disclosed
US-7893049-B2 N-[1-(3-dimethylamino-4-formyl-phenyl)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazolo[4,3-g]benzothiazol-7-yl]-acetamide; phosphatidylinositol-3-kinases (PI3-kinases) inhibitor; cell growth, differentiation and intracellular transport processes; antiproliferative, antiinflammatory agent; autoimmune diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-22 US disclosed
US-7893049-B2 N-[1-(3-dimethylamino-4-formyl-phenyl)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazolo[4,3-g]benzothiazol-7-yl]-acetamide; phosphatidylinositol-3-kinases (PI3-kinases) inhibitor; cell growth, differentiation and intracellular transport processes; antiproliferative, antiinflammatory agent; autoimmune diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-22 US disclosed
US-7893049-B2 N-[1-(3-dimethylamino-4-formyl-phenyl)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazolo[4,3-g]benzothiazol-7-yl]-acetamide; phosphatidylinositol-3-kinases (PI3-kinases) inhibitor; cell growth, differentiation and intracellular transport processes; antiproliferative, antiinflammatory agent; autoimmune diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-22 US disclosed
US-20080081802-A1 Thiazolyl-Dihydro-Indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 US disclosed
US-20080081802-A1 Thiazolyl-Dihydro-Indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 US disclosed
US-20080081802-A1 Thiazolyl-Dihydro-Indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 US disclosed
WO-2007113246-A1 THIAZOLYLDIHYDROINDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 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 (1 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-20080081802-A1 Thiazolyl-Dihydro-Indazole MKI67, CCNT1, CCNA1 GRIN1 2389/4885GRIN2A 4156/4885GRIN2B 3897/4885

“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.