SCHEMBL2999583

SCHEMBL2999583

Cc1cnc(Nc2ccc(C(=O)NC3CCC3)cc2)nc1Nc1ccc2oc(=O)n(COP(=O)(OCn3c(=O)oc4ccc(Nc5nc(Nc6ccc(C(=O)NC7CCC7)cc6)ncc5C)cc43)OCn3c(=O)oc4ccc(Nc5nc(Nc6ccc(C(=O)NC7CCC7)cc6)ncc5C)cc43)c2c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 12/20 0.51
IGF1R P08069 1/20 0.48
SYK P43405 2/20 0.44
JAK1 P23458 3/20 0.44
JAK3 P52333 2/20 0.44
AURKA O14965 2/20 0.43
AURKB Q96GD4 2/20 0.43
HDAC1 Q13547 2/20 0.43
JAK2 O60674 1/20 0.43
RET P07949 1/20 0.43
TYK2 P29597 1/20 0.43
FLT3 P36888 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41

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
SCHEMBL340100 0.95 BRD4 (0.50) BRD4IGF1RSYKJAK1JAK3
SCHEMBL17060850 0.94 BRD4 (0.48) BRD4IGF1RSYKJAK1JAK3
SCHEMBL29611041 0.94 BRD4 (0.48) BRD4IGF1RSYKJAK1JAK3
SCHEMBL29609967 0.94 BRD4 (0.49) BRD4IGF1RSYKJAK1JAK3
SCHEMBL1742681 0.94 BRD4 (0.49) BRD4IGF1RSYKJAK1JAK3
SCHEMBL1742682 0.94 BRD4 (0.49) BRD4IGF1RSYKJAK1JAK3
SCHEMBL340444 0.87 JAK3 (0.49) BRD4IGF1RSYKJAK1JAK3
SCHEMBL17060888 0.86 BRD4 (0.58) BRD4IGF1RSYKJAK1JAK3
SCHEMBL17060887 0.86 BRD4 (0.56) BRD4IGF1RSYKJAK1JAK3
SCHEMBL15323495 0.86 JAK3 (0.40) BRD4IGF1RJAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389372-B1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS INC (US) 2015-09-09 EP claimed
US-20100190770-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2010-07-29 US claimed
WO-2010085684-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2010-07-29 WO claimed
EP-4009974-A1 COMPOUNDS AND METHOD FOR TREATING CYTOKINE RELEASE SYNDROME Rigel Pharmaceuticals, Inc. (US) 2022-06-15 EP disclosed
WO-2021026451-A1 COMPOUNDS AND METHOD FOR TREATING CYTOKINE RELEASE SYNDROME RIGEL PHARMACEUTICALS, INC. (US) 2021-02-11 WO disclosed
US-20200216431-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2020-07-09 US disclosed
US-10556891-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2020-02-11 US disclosed
US-20180265503-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2018-09-20 US disclosed
US-10005767-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2018-06-26 US disclosed
US-20170137411-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2017-05-18 US disclosed
US-9248132-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2016-02-02 US disclosed
US-9084795-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2015-07-21 US disclosed
US-20140221352-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2014-08-07 US disclosed
US-20130310364-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 US disclosed
US-8563716-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2013-10-22 US disclosed
US-8507675-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
EP-2565193-A1 Compositions and methods for inhibition of the JAK pathway Rigel Pharmaceuticals, Inc. (US) 2013-03-06 EP disclosed
US-8324200-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
US-20100190770-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2010-07-29 US disclosed
WO-2010085684-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2010-07-29 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-20180265503-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 BRD4 910/4885IGF1R 3492/4885SYK 119/4885
US-20170137411-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 BRD4 910/4885IGF1R 3492/4885SYK 119/4885
US-20200216431-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 BRD4 910/4885IGF1R 3492/4885SYK 119/4885
US-20100190770-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 BRD4 910/4885IGF1R 3492/4885SYK 119/4885
US-20130310364-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 BRD4 910/4885IGF1R 3492/4885SYK 119/4885
US-20140221352-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 BRD4 910/4885IGF1R 3492/4885SYK 119/4885
US-10556891-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 BRD4 910/4885IGF1R 3492/4885SYK 119/4885
US-10005767-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 BRD4 910/4885IGF1R 3492/4885SYK 119/4885

“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.