SCHEMBL16441815

SCHEMBL16441815

Nc1cnc(Br)c(C2CC2)n1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
GFER P55789 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL18031207 0.76 OPRL1 (0.34) USP2GAAMAPTALOX15GFER
SCHEMBL25928451 0.76
SCHEMBL19069492 0.72 TDO2 (0.39) SMN1; SMN2
SCHEMBL16441816 0.72 CKS1B (0.35)
SCHEMBL16972864 0.71
SCHEMBL30987664 0.69 USP7 (0.36) USP2GAAMAPTALOX15GFER
SCHEMBL17375384 0.69 USP7 (0.36) USP2GAAMAPTALOX15GFER
SCHEMBL15544691 0.69 BACE1 (0.38) USP2GAAMAPTALOX15GFER
SCHEMBL29698780 0.69 BACE1 (0.38) USP2GAAMAPTALOX15GFER
SCHEMBL25374466 0.69 TGFBR1 (0.32)

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-2968288-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2018-07-04 EP disclosed
US-9765074-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-09-19 US disclosed
US-9765074-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-09-19 US disclosed
US-9745297-B2 Compounds as modulators of RORC BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-08-29 US disclosed
US-9745297-B2 Compounds as modulators of RORC BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-08-29 US disclosed
US-20160159791-A1 COMPOUNDS AS MODULATORS OF RORC BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-06-09 US disclosed
US-20160159791-A1 COMPOUNDS AS MODULATORS OF RORC BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-06-09 US disclosed
US-20160024091-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2016-01-28 US disclosed
WO-2015017335-A1 AZAINDOLE COMPOUNDS AS MODULATORS OF RORC BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-05 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-20160159791-A1 COMPOUNDS AS MODULATORS OF RORC RORC, RORB, RORA USP2 3702/4885GAA 2471/4885MAPT 2862/4885
US-20160024091-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 USP2 4805/4885GAA 3656/4885MAPT 4195/4885

“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.