SCHEMBL760627

SCHEMBL760627

NC(=O)c1cnc(On2nnc3ccccc32)nc1N[C@H]1CC[C@@H](NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 9/20 0.74
TSHR P16473 1/20 0.46
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
DPP4 P27487 5/20 0.40
DPP7 Q9UHL4 5/20 0.40
KCNH2 Q12809 3/20 0.40
EPHX1 P07099 1/20 0.38
ROCK2 O75116 1/20 0.37

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
SCHEMBL29865420 1.00 SYK (0.74) SYKTSHRALDH1A1GAAJAK2
SCHEMBL762103 0.89 SYK (0.93) SYK
SCHEMBL4419290 0.88 SYK (0.84) SYK
SCHEMBL4419303 0.88 SYK (0.84) SYK
SCHEMBL761163 0.86 SYK (1.00) SYK
SCHEMBL16204581 0.85 SYK (0.77) SYKJAK2JAK1
SCHEMBL734999 0.85 SYK (0.73) SYK
SCHEMBL735000 0.85 SYK (0.73) SYK
SCHEMBL735001 0.82 SYK (0.71) SYKALDH1A1
SCHEMBL20348692 0.79 SYK (0.84) SYKALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186783-A1 INHIBITORS OF PROTEIN KINASES ALEXION PHARMACEUTICALS, INC. 2018-07-05 US disclosed
US-9868729-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2018-01-16 US disclosed
EP-2321283-B1 2,6-DIAMINO-PYRIMIDIN-5-YL-CARBOXAMIDES AS SYK OR JAK KINASES INHIBITORS PORTOLA PHARM INC (US) 2016-07-13 EP disclosed
US-20150094298-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. 2015-04-02 US disclosed
US-8937070-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-01-20 US disclosed
US-20140031361-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. 2014-01-30 US disclosed
US-8501944-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2013-08-06 US disclosed
US-20120129867-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-8138339-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed
US-8138339-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed
US-20090318407-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-24 US disclosed
US-20090318407-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-24 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-20090318407-A1 Inhibitors of protein kinases SYK, BTK, JAK1 SYK 1/4885TSHR 2801/4885ALDH1A1 4344/4885
US-20120129867-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 SYK 1/4885TSHR 2801/4885ALDH1A1 4344/4885
US-20180186783-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 SYK 1/4885TSHR 2801/4885ALDH1A1 4344/4885
US-20140031361-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 SYK 1/4885TSHR 2801/4885ALDH1A1 4344/4885
US-20150094298-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 SYK 1/4885TSHR 2801/4885ALDH1A1 4344/4885

“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.