SCHEMBL736438

SCHEMBL736438

c1cc(Oc2cccc3[nH]nnc23)c2nn[nH]c2c1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.32
TRPA1 O75762 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL4956057 0.86 NOS1 (0.33)
SCHEMBL10489411 0.84
SCHEMBL6470134 0.84 KEAP1 (0.46) KDM4E
SCHEMBL28483710 0.84 ALDH1A1 (0.37) TRPA1KDM4E
SCHEMBL9140118 0.82 KDM4E (0.56) KDM4E
SCHEMBL44289 0.80 MAPT (0.33) KDM4E
SCHEMBL2353498 0.80
SCHEMBL9484127 0.80 CBFB (0.47) KDM4E
SCHEMBL8844752 0.80 MAPT (0.33) KDM4E
SCHEMBL30413703 0.80

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11414410-B2 Inhibitors of protein kinases ALEXION PHARMACEUTICALS, INC. (US) 2022-08-16 US disclosed
US-20200239458-A1 INHIBITORS OF PROTEIN KINASES ALEXION PHARMACEUTICALS, INC. 2020-07-30 US disclosed
US-20180186783-A1 INHIBITORS OF PROTEIN KINASES ALEXION PHARMACEUTICALS, INC. 2018-07-05 US disclosed
EP-2271631-B1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARM INC (US) 2018-07-04 EP disclosed
US-9868729-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2018-01-16 US disclosed
US-9579320-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2017-02-28 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-20150297595-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. 2015-10-22 US disclosed
US-9139581-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-09-22 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
EP-2321283-A1 2, 6-DIAMINO-PYRIMIDIN- 5-YL-CARBOXAMIDES AS SYK OR JAK KINASES INHIBITORS Portola Pharmaceuticals, Inc. (US) 2011-05-18 EP disclosed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
EP-2271631-A2 INHIBITORS OF PROTEIN KINASES Portola Pharmaceuticals, Inc. (US) 2011-01-12 EP disclosed
WO-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 WO disclosed
US-20100048567-A1 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS INC. (US) 2010-02-25 US disclosed
US-20090318407-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-24 US disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
WO-2009145856-A1 2, 6-DIAMINO-PYRIMIDIN- 5-YL-CARBOXAMIDES AS SYK OR JAK KINASES INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 WO disclosed
WO-2009136995-A2 INHIBITORS OF SYK PROTEIN KINASE PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed
WO-2009131687-A2 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2009-10-29 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 (8 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 RHEB 1672/4885TRPA1 4057/4885KDM4E 1917/4885
US-20150297595-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 RHEB 2359/4885TRPA1 3253/4885KDM4E 1120/4885
US-20200239458-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 RHEB 1672/4885TRPA1 4057/4885KDM4E 1917/4885
US-20180186783-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 RHEB 1672/4885TRPA1 4057/4885KDM4E 1917/4885
US-11414410-B2 Inhibitors of protein kinases MAP3K1, MAP3K20, MAP3K2 RHEB 750/4885TRPA1 4617/4885KDM4E 1016/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 RHEB 2082/4885TRPA1 4105/4885KDM4E 1264/4885
US-20100048567-A1 Inhibitors of syk and JAK protein kinases SYK, BTK, JAK1 RHEB 2359/4885TRPA1 3253/4885KDM4E 1120/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 RHEB 1904/4885TRPA1 4088/4885KDM4E 1124/4885

“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.