SCHEMBL2086451

SCHEMBL2086451

CC(C)(C)OC(=O)N(N)c1cccc(N2CCOCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.47
USP30 Q70CQ3 1/20 0.46
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AGXT P21549 1/20 0.42
FAAH O00519 1/20 0.41
CYP2C19 P33261 1/20 0.41
LGMN Q99538 2/20 0.41
GPR119 Q8TDV5 3/20 0.41
AKR1C3 P42330 1/20 0.41
DHFR P00374 1/20 0.40
AOC3 Q16853 2/20 0.40
SLC6A9 P48067 2/20 0.40
SLC6A5 Q9Y345 2/20 0.40
PLOD2 O00469 1/20 0.40
PLOD3 O60568 1/20 0.40
PLOD1 Q02809 1/20 0.40
PRKDC P78527 1/20 0.40

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
SCHEMBL14814364 0.87 HTR2C (0.50) MAPTHTTAGXTGPR119PLOD2
SCHEMBL12140384 0.79 BRD4 (0.40) RAB9ASMN1; SMN2CYP2C19
SCHEMBL978357 0.76 MAPT (0.44) MAPTHTTRAB9ASMN1; SMN2CYP2C19
SCHEMBL6544804 0.76 NTRK1 (0.43) KMOUSP30RAB9AAGXTFAAH
SCHEMBL13963818 0.75 LMNA (0.50) KMOMAPTHTTRAB9ASMN1; SMN2
SCHEMBL3407971 0.74 CYP3A4 (0.40) HTTRAB9ACYP2C19GPR119
SCHEMBL12499 0.73 SMN1; SMN2 (0.38) MAPTRAB9ASMN1; SMN2GPR119
SCHEMBL15550751 0.72 HTR3E (0.43) MAPT
SCHEMBL2130967 0.72 HDAC1 (0.42) HTTRAB9A
SCHEMBL24188776 0.72 HIF1A (0.48) SMN1; SMN2AOC3

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-7902239-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-08 US disclosed
US-7902239-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-08 US disclosed
US-7902239-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-08 US disclosed
EP-1562589-B1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2009-01-07 EP disclosed
EP-1562589-B1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2009-01-07 EP disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 US disclosed
EP-1562589-A2 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2005-08-17 EP disclosed
US-20040214817-A1 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2004-10-28 US disclosed
WO-2004046120-A2 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-06-03 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 (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-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K5 KMO 1243/4885USP30 2077/4885MAPT 937/4885
US-20040214817-A1 Diaminotriazoles useful as inhibitors of protein kinases MAP3K20, MAP3K1, MAP3K5 KMO 1243/4885USP30 2077/4885MAPT 937/4885

“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.