SCHEMBL1033268

SCHEMBL1033268

Cc1ccc(C#N)c(N[C@@H]2CCNC2)n1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.44
▸ ATAD2 Q6PL18 2/20 0.44
▸ CHEK1 O14757 2/20 0.41
▸ PRKCI P41743 10/20 0.41
▸ NRAS P01111 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ CHEK2 O96017 3/20 0.39
▸ NSD2 O96028 1/20 0.38
▸ PDPK1 O15530 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.38

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
SCHEMBL1033270 1.00 BRD4 (0.44) BRD4ATAD2CHEK1PRKCINRAS
SCHEMBL1032977 0.77 BRD4 (0.44) BRD4ATAD2CHEK1PRKCINRAS
SCHEMBL1032978 0.77 BRD4 (0.44) BRD4ATAD2CHEK1PRKCINRAS
SCHEMBL671780 0.76 PRKCI (0.40) BRD4ATAD2CHEK1PRKCINRAS
SCHEMBL30478179 0.70 CHEK1 (0.43) BRD4ATAD2CHEK1
SCHEMBL31687302 0.70 IRAK4 (0.51) BRD4ATAD2NRASFLT3
SCHEMBL21460264 0.70 IRAK4 (0.45) BRD4ATAD2NRASFLT3
SCHEMBL26879473 0.70 HRH3 (0.47) BRD4ATAD2CHEK2RPS6KB1
SCHEMBL17831820 0.69 SMN1; SMN2 (0.42) —
Hydrochloric Acid SCHEMBL30457642 0.69 IRAK4 (0.50) BRD4ATAD2NRASFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8828985-B2 Carbamate and urea inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-09-09 — — US disclosed
US-20130244994-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 CLAREMON DAVID A (US) 2013-09-19 — — US disclosed
US-8399504-B2 Carbamate and urea inhibitors of 11Beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-03-19 — — US disclosed
US-20110112062-A1 Carbamate And Urea Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 VITAE PHARMACEUTICALS, INC 2011-05-12 — — US disclosed
EP-2276730-A2 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2011-01-26 — — EP disclosed
WO-2009131669-A2 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-10-29 — — 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 (2 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-20130244994-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD17B1 BRD4 3497/4885ATAD2 4183/4885CHEK1 1665/4885
US-20110112062-A1 Carbamate And Urea Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD3B1, HSD17B1 BRD4 3462/4885ATAD2 3297/4885CHEK1 2058/4885

“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.

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