SCHEMBL13624975

SCHEMBL13624975

N#Cc1ccc([N+](=O)[O-])cc1-n1nccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
LMNA P02545 5/20 0.51
VCAM1 P19320 3/20 0.50
GAA P10253 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
BCHE P06276 1/20 0.40
TSHR P16473 1/20 0.39
ESPL1 Q14674 1/20 0.38
XDH P47989 1/20 0.38
RECQL P46063 1/20 0.38
ROCK1 Q13464 1/20 0.37
CASP1 P29466 1/20 0.37
CASP3 P42574 1/20 0.37
CASP4 P49662 1/20 0.37
CASP7 P55210 1/20 0.37
CASP9 P55211 1/20 0.37
CASP6 P55212 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
SCHEMBL19814271 0.88 ALDH1A1 (0.62) ALDH1A1LMNAVCAM1GAASMN1; SMN2
SCHEMBL14548862 0.77 LMNA (0.47) ALDH1A1LMNAVCAM1GAASMN1; SMN2
SCHEMBL25026902 0.77 ALDH1A1 (0.83) ALDH1A1LMNAVCAM1GAASMN1; SMN2
SCHEMBL31284553 0.76 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL18034804 0.76 ALDH1A1 (0.81) ALDH1A1LMNAVCAM1GAASMN1; SMN2
SCHEMBL73860 0.75 VCAM1 (0.70) ALDH1A1LMNAVCAM1GAASMN1; SMN2
SCHEMBL4106245 0.74 ALDH1A1 (0.63) ALDH1A1LMNAGAASMN1; SMN2MAPT
SCHEMBL2061907 0.73 ALDH1A1 (0.43) ALDH1A1LMNAVCAM1GAASMN1; SMN2
Fluoride SCHEMBL28259583 0.73 VCAM1 (0.68) ALDH1A1LMNAVCAM1GAASMN1; SMN2
SCHEMBL7828891 0.73 ALDH1A1 (0.57) ALDH1A1LMNAGAASMN1; SMN2MAPT

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-20140200198-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2014-07-17 US disclosed
US-8349860-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-08 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
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 (3 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 ALDH1A1 3700/4885LMNA 3981/4885VCAM1 308/4885
US-20140200198-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 ALDH1A1 3735/4885LMNA 2417/4885VCAM1 363/4885
US-20100048567-A1 Inhibitors of syk and JAK protein kinases SYK, BTK, JAK1 ALDH1A1 3700/4885LMNA 3981/4885VCAM1 308/4885

“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.