SCHEMBL341379

SCHEMBL341379

COc1cc(Nc2ncc(F)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(OC)c1OC

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 17/20 0.81
JAK3 P52333 17/20 0.81
JAK2 O60674 12/20 0.81
CYP3A4 P08684 8/20 0.81
CYP1A2 P05177 2/20 0.72
TYK2 P29597 2/20 0.72
SYK P43405 3/20 0.57
EGFR P00533 2/20 0.55
ITK Q08881 2/20 0.55
BMPR1B O00238 1/20 0.53
CDC7 O00311 1/20 0.53
PIK3CD O00329 1/20 0.53
PLK4 O00444 1/20 0.53
STK25 O00506 1/20 0.53
CIT O14578 1/20 0.53
RIOK3 O14730 1/20 0.53
CHEK1 O14757 1/20 0.53
IKBKB O14920 1/20 0.53
AURKA O14965 1/20 0.53
GAK O14976 1/20 0.53

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
SCHEMBL15389498 0.95 JAK1 (0.85) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL15389198 0.94 JAK1 (0.72) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL15388961 0.93 JAK1 (0.77) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL23356162 0.91 JAK1 (0.75) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL23356183 0.90 JAK1 (0.88) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL15389088 0.90 JAK1 (0.85) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL341658 0.90 JAK1 (1.00) JAK1JAK3JAK2CYP3A4CYP1A2
Trifluoroacetic Acid SCHEMBL524739 0.89 JAK1 (0.75) JAK1JAK3JAK2CYP3A4CYP1A2
Trifluoroacetic Acid SCHEMBL29360722 0.89 JAK1 (0.75) JAK1JAK3JAK2CYP3A4CYP1A2
Trifluoroacetic Acid SCHEMBL525324 0.88 JAK1 (0.64) JAK1JAK3JAK2CYP3A4CYP1A2

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-20220249475-A1 COMPOUNDS AND METHOD FOR TREATING CYTOKINE RELEASE SYNDROME RIGEL PHARMACEUTICALS, INC. (US) 2022-08-11 US claimed
EP-2389372-B1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS INC (US) 2015-09-09 EP claimed
EP-2389372-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY Rigel Pharmaceuticals, Inc. (US) 2011-11-30 EP claimed
US-8037782-B2 Steering column assembly FUJI KIKO CO., LTD. (JP) 2011-10-18 US 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
US-20220249475-A1 COMPOUNDS AND METHOD FOR TREATING CYTOKINE RELEASE SYNDROME RIGEL PHARMACEUTICALS, INC. (US) 2022-08-11 US disclosed
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-20120016122-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-01-19 US disclosed
US-20120010407-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-01-12 US disclosed
US-20120010406-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-01-12 US disclosed
EP-2389372-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY Rigel Pharmaceuticals, Inc. (US) 2011-11-30 EP disclosed
US-8037782-B2 Steering column assembly FUJI KIKO CO., LTD. (JP) 2011-10-18 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 (9 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-20120010407-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 JAK1 3/4885JAK3 1/4885JAK2 2/4885
US-20180265503-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 JAK1 3/4885JAK3 1/4885JAK2 2/4885
US-20120016122-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 JAK1 3/4885JAK3 1/4885JAK2 2/4885
US-20200216431-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 JAK1 3/4885JAK3 1/4885JAK2 2/4885
US-20220249475-A1 COMPOUNDS AND METHOD FOR TREATING CYTOKINE RELEASE SYNDROME IRAK1, IRAK3, IRAK2 JAK1 7/4885JAK3 12/4885JAK2 8/4885
US-20100190770-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 JAK1 3/4885JAK3 1/4885JAK2 2/4885
US-20120010406-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 JAK1 3/4885JAK3 1/4885JAK2 2/4885
US-10556891-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 JAK1 3/4885JAK3 1/4885JAK2 2/4885
US-10005767-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 JAK1 3/4885JAK3 1/4885JAK2 2/4885

“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.