SCHEMBL12134342

SCHEMBL12134342

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(-c2ccc([N+](=O)[O-])cc2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.48
AAK1 Q2M2I8 1/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
USP30 Q70CQ3 1/20 0.38
GAA P10253 3/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 2/20 0.35
MAPK1 P28482 1/20 0.35
TP53 P04637 1/20 0.35
NR1D1 P20393 1/20 0.35
CDC7 O00311 1/20 0.34
LTB4R Q15722 1/20 0.34

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
SCHEMBL12134343 0.83 SYK (0.53) SYKAAK1USP30LTB4R
SCHEMBL31396449 0.79 PIK3CA (0.45) LMNAMAPTALDH1A1GAACYP2C19
SCHEMBL6019396 0.77 CYP2C19 (0.51) LMNAMAPTALDH1A1GAACYP2C19
SCHEMBL30844500 0.76 ALDH1A1 (0.48) LMNAMAPTALDH1A1GAAKDM4E
SCHEMBL19989744 0.76 SYK (0.43) SYKAAK1MAPTALDH1A1USP30
SCHEMBL1353269 0.75 TRPV1 (0.40) LMNAMAPTALDH1A1GAACYP2C19
SCHEMBL1353267 0.75 MAPT (0.38) LMNAMAPTALDH1A1GAACYP2C19
SCHEMBL3499236 0.75 ALDH1A1 (0.38) LMNAMAPTALDH1A1GAARAB9A
SCHEMBL3501150 0.75 ALDH1A1 (0.43) LMNAMAPTALDH1A1GAARAB9A
SCHEMBL6916032 0.75 ALDH1A1 (0.48) LMNAMAPTALDH1A1GAACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150297595-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. 2015-10-22 US disclosed
EP-2323993-B1 2,6-DIAMINO- PYRIMIDIN- 5-YL-CARBOXAMIDES AS SYK OR JAK KINASES INHIBITORS PORTOLA PHARM INC (US) 2015-06-03 EP disclosed
US-8952027-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-02-10 US disclosed
US-8063058-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-8063058-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-20100048567-A1 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS INC. (US) 2010-02-25 US disclosed
US-20100048567-A1 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS INC. (US) 2010-02-25 US disclosed
WO-2009136995-A2 INHIBITORS OF SYK PROTEIN KINASE PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-12 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-20150297595-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 SYK 1/4885AAK1 730/4885LMNA 3981/4885
US-20100048567-A1 Inhibitors of syk and JAK protein kinases SYK, BTK, JAK1 SYK 1/4885AAK1 730/4885LMNA 3981/4885

“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.