SCHEMBL1018947

SCHEMBL1018947

CCOC(=O)C1CCCN(c2nc(Cl)nc3[nH]cnc23)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 7/20 0.50
MAPK1 P28482 6/20 0.50
MAPT P10636 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 5/20 0.48
HSD17B10 Q99714 3/20 0.48
HPGD P15428 3/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.48
GAA P10253 2/20 0.47
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL2019866 0.82 ALDH1A1 (0.50) NPSR1MAPK1MAPTALDH1A1KDM4E
SCHEMBL2019864 0.82 ALDH1A1 (0.50) NPSR1MAPK1MAPTALDH1A1KDM4E
SCHEMBL12184895 0.79 ALDH1A1 (0.55) NPSR1MAPK1MAPTMEN1KMT2A
SCHEMBL3667418 0.78 ALDH1A1 (0.53) NPSR1MAPK1MAPTMEN1KMT2A
SCHEMBL4082886 0.74 ALDH1A1 (0.57) NPSR1MAPK1MAPTMEN1KMT2A
SCHEMBL29438234 0.73 ALDH1A1 (0.54) MAPK1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL12185358 0.73 ALDH1A1 (0.54) MAPK1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL2635948 0.73 ALDH1A1 (0.54) MAPK1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL14183741 0.73 HTT (0.41) MAPK1MAPTALDH1A1KDM4EHSD17B10
SCHEMBL20284534 0.72 ALDH1A1 (0.50) NPSR1MAPK1MAPTMEN1KMT2A

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-9139581-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9139581-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9139581-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-20130029944-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-31 US disclosed
US-20130029944-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-31 US disclosed
US-20130029944-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-31 US disclosed
US-8258144-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-09-04 US disclosed
US-8258144-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-09-04 US disclosed
US-8258144-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-09-04 US disclosed
EP-2271631-A2 INHIBITORS OF PROTEIN KINASES Portola Pharmaceuticals, Inc. (US) 2011-01-12 EP disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
WO-2009131687-A2 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2009-10-29 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-20130029944-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK2 NPSR1 2513/4885MAPK1 209/4885MAPT 4793/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 NPSR1 2513/4885MAPK1 209/4885MAPT 4793/4885

“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.