SCHEMBL801619

SCHEMBL801619

CC(C)Nc1nc(C(C)C)nc2sccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.49
TNF P01375 1/20 0.40
RAB9A P51151 1/20 0.40
NOD1 Q9Y239 1/20 0.40
GGPS1 O95749 7/20 0.39
FDPS P14324 2/20 0.39
FLT3 P36888 1/20 0.39
CXCR2 P25025 1/20 0.37
APP P05067 1/20 0.36
USP1 O94782 1/20 0.36
WDR48 Q8TAF3 1/20 0.36
ACP1 P24666 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TLR7 Q9NYK1 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33

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
SCHEMBL12963987 0.85 ELANE (0.40) ELANETNFRAB9ANOD1GGPS1
SCHEMBL805580 0.82 ELANE (0.50) ELANETNFRAB9ANOD1GGPS1
SCHEMBL12619543 0.78 ELANE (0.47) ELANETNFRAB9ANOD1GGPS1
SCHEMBL16171326 0.76 ELANE (0.40) ELANETNFRAB9ANOD1FLT3
SCHEMBL9533820 0.75 ELANE (0.44) ELANETNFRAB9ANOD1GGPS1
SCHEMBL802272 0.74 ADORA2B (0.52) CXCR2USP1WDR48KMT2AADORA3
SCHEMBL11198291 0.74 GGPS1 (0.53) ELANEGGPS1KMT2AMAPK1HSD17B10
SCHEMBL11413904 0.73 RAB9A (0.68) TNFRAB9ANOD1FDPSFLT3
SCHEMBL21101032 0.72 ELANE (0.37) ELANETNFRAB9ANOD1FLT3
SCHEMBL19523161 0.72 LMNA (0.41) ELANEFLT3USP1WDR48KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669081-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-11 US disclosed
US-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 US disclosed
US-8524720-B2 Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 US disclosed
US-20110086856-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-14 US disclosed
US-7863282-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-04 US disclosed
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-07 US disclosed
US-7691853-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-06 US disclosed
US-7473691-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-01-06 US disclosed
US-7390815-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-24 US disclosed
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 US disclosed
US-20070190634-A1 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-16 US disclosed
US-20070179133-A1 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 US disclosed
US-7179826-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-02-20 US 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 (5 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-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, CDK3, GSK3A ELANE 4863/4885TNF 4229/4885RAB9A 3188/4885
US-20070179133-A1 Compositions useful as inhibitors of protein kinases MAP3K20, PACSIN2, MAP3K6 ELANE 2041/4885TNF 3292/4885RAB9A 1904/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 ELANE 4731/4885TNF 4453/4885RAB9A 638/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A ELANE 4863/4885TNF 4229/4885RAB9A 3188/4885
US-20110086856-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, PACSIN2, MAP3K6 ELANE 2041/4885TNF 3292/4885RAB9A 1904/4885

“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.