SCHEMBL982187

SCHEMBL982187

CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)NC2CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.55
KDM1A O60341 1/20 0.48
MAOB P27338 1/20 0.48
CTSK P43235 2/20 0.48
POLB P06746 1/20 0.47
GAA P10253 2/20 0.46
EPHX1 P07099 2/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
DRD2 P14416 3/20 0.42
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL982185 1.00 BTK (0.55) BTKKDM1AMAOBCTSKPOLB
SCHEMBL23663253 0.91 BTK (0.58) BTKKDM1AMAOBCTSKPOLB
SCHEMBL28521247 0.91 BTK (0.58) BTKKDM1AMAOBCTSKPOLB
Methyl Alcohol SCHEMBL28082230 0.91 BTK (0.59) BTKKDM1AMAOBCTSKGAA
SCHEMBL31334748 0.90 BTK (0.53) BTKKDM1AMAOBCTSKGAA
SCHEMBL26506949 0.90 BTK (0.53) BTKKDM1AMAOBCTSKGAA
SCHEMBL25326419 0.90 BTK (0.53) BTKKDM1AMAOBCTSKGAA
SCHEMBL3702152 0.89 BTK (0.61) BTKKDM1AMAOBCTSKGAA
SCHEMBL10343938 0.89 BTK (0.61) BTKKDM1AMAOBCTSKGAA
SCHEMBL3702157 0.89 BTK (0.61) BTKKDM1AMAOBCTSKGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109641906-B Heteroaryl substituted aminopyridine compounds 百时美施贵宝公司 2021-10-01 CN disclosed
US-10618903-B2 Heteroaryl substituted aminopyridine compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-04-14 US disclosed
EP-3475270-B1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-02-26 EP disclosed
US-20190292191-A1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2019-09-26 US disclosed
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US disclosed
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 US disclosed
EP-2247594-A1 PYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2010-11-10 EP disclosed
WO-2009106531-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2009-09-03 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 (3 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-20190292191-A1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS IRAK4, IRAK3, IRAK2 BTK 49/4885KDM1A 215/4885MAOB 3821/4885
US-10618903-B2 Heteroaryl substituted aminopyridine compounds IRAK4, IRAK3, IRAK2 BTK 49/4885KDM1A 215/4885MAOB 3821/4885
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A BTK 1977/4885KDM1A 1204/4885MAOB 81/4885

“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.