SCHEMBL2633107

SCHEMBL2633107

O=[N+]([O-])c1ccc(-n2ccc(C(F)(F)F)n2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KMT2A Q03164 3/20 0.46
PTGS1 P23219 1/20 0.43
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
HIF1A Q16665 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PTGS2 P35354 1/20 0.39
THRB P10828 1/20 0.39
PAX8 Q06710 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
SCN9A Q15858 1/20 0.38
CRHR1 P34998 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
HTT P42858 1/20 0.38
SLC6A9 P48067 1/20 0.37
SLC6A5 Q9Y345 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
SCHEMBL8739541 0.89 POLB (0.43) ALDH1A1KMT2APTGS1LMNAPOLB
SCHEMBL2627213 0.82 HTT (0.52) ALDH1A1KMT2APTGS1POLBMAPT
SCHEMBL21071965 0.82 ALDH1A1 (0.52) ALDH1A1KMT2APTGS1LMNAPOLB
SCHEMBL18758383 0.81 ALDH1A1 (0.48) ALDH1A1KMT2ALMNAPOLBHIF1A
SCHEMBL2627211 0.81 HTT (0.60) ALDH1A1KMT2ALMNAHIF1AMAPT
SCHEMBL2162184 0.79 HTT (0.60) PTGS1POLBMAPTNPC1RAB9A
SCHEMBL21071529 0.77 ALDH1A1 (0.41) ALDH1A1KMT2APTGS1POLBMEN1
SCHEMBL14887384 0.76 PTGS1 (0.50) ALDH1A1KMT2APTGS1LMNAPOLB
SCHEMBL29864393 0.76 PTGS1 (0.50) ALDH1A1KMT2APTGS1LMNAPOLB
SCHEMBL27887545 0.76 ALDH1A1 (0.47) ALDH1A1KMT2ALMNAPOLBHIF1A

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-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-8349860-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-08 US disclosed
US-8318755-B2 Inhibitors of SYK and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-11-27 US disclosed
US-20120130073-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-20120101275-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-04-26 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 (4 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 3700/4885KMT2A 1915/4885PTGS1 606/4885
US-20120130073-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 ALDH1A1 3700/4885KMT2A 1915/4885PTGS1 606/4885
US-20120101275-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 ALDH1A1 3700/4885KMT2A 1915/4885PTGS1 606/4885
US-20100048567-A1 Inhibitors of syk and JAK protein kinases SYK, BTK, JAK1 ALDH1A1 3700/4885KMT2A 1915/4885PTGS1 606/4885

“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.