SCHEMBL1031709

SCHEMBL1031709

N#Cc1ccc(NC2CCNC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 1/20 0.51
▸ CCR6 P51684 9/20 0.49
▸ DPP4 P27487 4/20 0.49
▸ CCNK O75909 1/20 0.49
▸ CCNA2 P20248 1/20 0.49
▸ CDK2 P24941 1/20 0.49
▸ CDK12 Q9NYV4 1/20 0.49
▸ JAK3 P52333 2/20 0.48
▸ JAK2 O60674 1/20 0.48
▸ DPP8 Q6V1X1 1/20 0.47
▸ DPP9 Q86TI2 1/20 0.47
▸ IRAK4 Q9NWZ3 1/20 0.46

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
SCHEMBL1031708 1.00 PRKCI (0.51) PRKCICCR6DPP4CCNKCCNA2
Hydrochloric Acid SCHEMBL28555884 0.99 PRKCI (0.50) PRKCICCR6DPP4CCNKCCNA2
Hydrochloric Acid SCHEMBL28555877 0.99 PRKCI (0.50) PRKCICCR6DPP4CCNKCCNA2
SCHEMBL1119511 0.92 IRAK4 (0.54) CCR6DPP4CCNKCCNA2CDK2
SCHEMBL2709498 0.91 CCR6 (0.54) CCR6DPP4CCNKCCNA2CDK2
Hydrochloric Acid SCHEMBL1514111 0.90 IRAK4 (0.53) CCR6DPP4CCNKCCNA2CDK2
Hydrochloric Acid SCHEMBL3608266 0.90 IRAK4 (0.53) CCR6DPP4CCNKCCNA2CDK2
Hydrochloric Acid SCHEMBL2418183 0.90 CCR6 (0.53) CCR6DPP4CCNKCCNA2CDK2
SCHEMBL26122679 0.89 DPP4 (0.50) CCR6DPP4CCNKCCNA2CDK2
Hydrochloric Acid SCHEMBL21521421 0.88 DPP4 (0.49) CCR6DPP4CCNKCCNA2CDK2

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 PRKCI 848/4885CCR6 3615/4885DPP4 735/4885
US-20110112062-A1 Carbamate And Urea Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD3B1, HSD17B1 PRKCI 994/4885CCR6 3087/4885DPP4 1162/4885

“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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