SCHEMBL2113254

SCHEMBL2113254

c1nc(C2CCCC2)c2cc[nH]c2n1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.58
JAK3 P52333 17/20 0.56
JAK1 P23458 11/20 0.56
JAK2 O60674 7/20 0.56
TYK2 P29597 5/20 0.56

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
SCHEMBL24121894 0.98 JAK3 (0.58) HPGDSJAK3JAK1JAK2TYK2
SCHEMBL13961118 0.98 JAK3 (0.58) HPGDSJAK3JAK1JAK2TYK2
SCHEMBL24121887 0.94 KIT (0.54) HPGDSJAK3JAK1JAK2TYK2
SCHEMBL1093969 0.93 HPGDS (0.53) HPGDSJAK3JAK1JAK2TYK2
SCHEMBL24121677 0.92 KIT (0.52) HPGDSJAK3JAK1JAK2TYK2
SCHEMBL24121893 0.91 JAK3 (0.49) HPGDSJAK3JAK1JAK2TYK2
SCHEMBL24121881 0.87 JAK3 (0.50) HPGDSJAK3JAK1JAK2TYK2
SCHEMBL24121892 0.87 HPGDS (0.47) HPGDSJAK3JAK1JAK2TYK2
SCHEMBL24121882 0.85 JAK3 (0.49) HPGDSJAK3JAK1JAK2TYK2
SCHEMBL28345670 0.85 JAK3 (0.59) HPGDSJAK3JAK1JAK2TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9260437-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-02-16 US disclosed
US-9260437-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-02-16 US disclosed
US-9260437-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-02-16 US disclosed
US-20150166547-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2015-06-18 US disclosed
US-20150166547-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2015-06-18 US disclosed
US-20150166547-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2015-06-18 US disclosed
US-8912204-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-12-16 US disclosed
US-8912204-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-12-16 US disclosed
US-8912204-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-12-16 US disclosed
US-20140315931-A1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-23 US disclosed
US-20090088445-A1 Deazapurines useful as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-04-02 US disclosed
EP-1844050-B1 PYRROLOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASE VERTEX PHARMA (US) 2009-01-14 EP disclosed
EP-1844050-B1 PYRROLOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASE VERTEX PHARMA (US) 2009-01-14 EP disclosed
CN-101142218-A Pyrrolopyrimidines useful as inhibitors of protein kinase VERTEX PHARMA (US) 2008-03-12 CN disclosed
EP-1844050-A1 PYRROLOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASE Vertex Pharmaceuticals, Inc. (US) 2007-10-17 EP disclosed
US-20070004762-A9 Pyrrolopyrimidines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2007-01-04 US disclosed
US-20070004762-A9 Pyrrolopyrimidines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2007-01-04 US disclosed
US-20070004762-A9 Pyrrolopyrimidines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2007-01-04 US disclosed
WO-2006096270-A1 PYRROLOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-09-14 WO disclosed
US-20060183761-A1 Pyrrolopyrimidines useful as inhibitors of protein kinase LEDEBOER MARK 2006-08-17 US 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 (5 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-20150166547-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PRKDC, PRKACA, PRKACG HPGDS 118/4885JAK3 61/4885JAK1 12/4885
US-20070004762-A9 Pyrrolopyrimidines useful as inhibitors of protein kinase PRKDC, MAP3K20, MAP3K5 HPGDS 930/4885JAK3 279/4885JAK1 182/4885
US-20090088445-A1 Deazapurines useful as inhibitors of Janus kinases JAK1, JAK3, JAK2 HPGDS 434/4885JAK3 2/4885JAK1 1/4885
US-20140315931-A1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 HPGDS 434/4885JAK3 2/4885JAK1 1/4885
US-20060183761-A1 Pyrrolopyrimidines useful as inhibitors of protein kinase PRKDC, MAP3K20, MAP3K5 HPGDS 930/4885JAK3 279/4885JAK1 182/4885

“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.