SCHEMBL8739541

SCHEMBL8739541

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
PTGS1 P23219 1/20 0.42
KMT2A Q03164 3/20 0.40
NPC1 O15118 3/20 0.40
MEN1 O00255 2/20 0.40
RAB9A P51151 2/20 0.40
PTGS2 P35354 1/20 0.40
PAX8 Q06710 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.39
CRHR1 P34998 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TLR2 O60603 1/20 0.37
TLR1 Q15399 1/20 0.37
TSHR P16473 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
SCHEMBL2627213 0.92 HTT (0.52) POLBPTGS1KMT2ANPC1MEN1
SCHEMBL2633107 0.89 ALDH1A1 (0.46) POLBPTGS1KMT2ANPC1MEN1
SCHEMBL21071965 0.84 ALDH1A1 (0.52) POLBPTGS1KMT2AMEN1PTGS2
SCHEMBL2162184 0.81 HTT (0.60) POLBPTGS1NPC1RAB9APTGS2
SCHEMBL21071529 0.79 ALDH1A1 (0.41) POLBPTGS1KMT2ANPC1MEN1
SCHEMBL29399915 0.76 MAPT (0.51) POLBPTGS1KMT2AMEN1ALDH1A1
SCHEMBL28323855 0.75 HTT (0.40) KMT2ANPC1MEN1RAB9AALDH1A1
SCHEMBL8739130 0.74 PRMT6 (0.46) POLBNPC1RAB9APAX8ALDH1A1
SCHEMBL9081631 0.74 TSHR (0.44) POLBNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL18758319 0.74 CRHR1 (0.45) POLBPTGS1ALDH1A1HTTCRHR1

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 POLB 3100/4885PTGS1 606/4885KMT2A 1915/4885
US-20120130073-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 POLB 3100/4885PTGS1 606/4885KMT2A 1915/4885
US-20120101275-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 POLB 3100/4885PTGS1 606/4885KMT2A 1915/4885
US-20100048567-A1 Inhibitors of syk and JAK protein kinases SYK, BTK, JAK1 POLB 3100/4885PTGS1 606/4885KMT2A 1915/4885

“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.