SCHEMBL2266977

SCHEMBL2266977

O=C1NC[N]C12CCNCC2

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CRBN Q96SW2 1/20 0.31

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
SCHEMBL1599913 0.74
SCHEMBL848515 0.68 OPRM1 (0.31) NEK2HSD17B10
SCHEMBL16358641 0.64 IDO1 (0.36) NEK2
SCHEMBL15056816 0.64 GRIN1 (0.30)
SCHEMBL3119994 0.62 OTUD7B (0.46) NEK2HSD17B10CRBN
SCHEMBL324340 0.62 OTUD7B (0.46) NEK2HSD17B10CRBN
SCHEMBL2209531 0.61
SCHEMBL785588 0.61 CRBN (0.52) NEK2HSD17B10CRBN
Hydrochloric Acid SCHEMBL30159811 0.61 OTUD7B (0.44) NEK2HSD17B10CRBN
Hydrochloric Acid SCHEMBL2637685 0.61 OTUD7B (0.44) NEK2HSD17B10CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160083375-A1 THIAZOLYL- OR THIADIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-03-24 US claimed
EP-1758884-A2 N-CYCLIC SULFONAMIDO INHIBITORS OF GAMMA SECRETASE Elan Pharmaceuticals, Inc. (US) 2007-03-07 EP claimed
US-20060035884-A1 N-cyclic sulfonamido inhibitors of gamma secretase ELAN PHARMACEUTICALS, INC. (US) 2006-02-16 US claimed
WO-2005113542-A2 N-CYCLIC SULFONAMIDO INHIBITORS OF GAMMA SECRETASE ELAN PHARMACEUTICALS, INC. (US) 2005-12-01 WO claimed
US-8003649-B2 Bicyclic derivatives for use in the treatment of androgen receptor associated conditions-155 ASTRAZENECA AB (SE) 2011-08-23 US disclosed
EP-2235010-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS AstraZeneca AB (SE) 2010-10-06 EP disclosed
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 ASTRAZENECA AB (SE) 2010-01-21 US disclosed
WO-2009081197-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS ASTRAZENECA AB (SE) 2009-07-02 WO disclosed
EP-1758884-A2 N-CYCLIC SULFONAMIDO INHIBITORS OF GAMMA SECRETASE Elan Pharmaceuticals, Inc. (US) 2007-03-07 EP disclosed
US-20060035884-A1 N-cyclic sulfonamido inhibitors of gamma secretase ELAN PHARMACEUTICALS, INC. (US) 2006-02-16 US disclosed
WO-2005113542-A2 N-CYCLIC SULFONAMIDO INHIBITORS OF GAMMA SECRETASE ELAN PHARMACEUTICALS, INC. (US) 2005-12-01 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-20160083375-A1 THIAZOLYL- OR THIADIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS IRAK4, IRAK1, IRAK3 NEK2 331/4885HSD17B10 4199/4885CRBN 518/4885
US-20060035884-A1 N-cyclic sulfonamido inhibitors of gamma secretase BACE1, BACE2, APH1B NEK2 2995/4885HSD17B10 2748/4885CRBN 526/4885
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 AR, NR5A1, CYP17A1 NEK2 2591/4885HSD17B10 178/4885CRBN 2185/4885

“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.