SCHEMBL340655

SCHEMBL340655

CN1CCN(c2ccc(Nc3ncc(F)c(Nc4ccc5[nH]c(=O)[nH]c5c4)n3)cn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 4/20 0.61
JAK3 P52333 4/20 0.61
JAK2 O60674 3/20 0.61
CYP3A4 P08684 1/20 0.61
EGFR P00533 2/20 0.57
CTSC P53634 1/20 0.53
CDK9 P50750 3/20 0.50
SYK P43405 2/20 0.50
CCNT1 O60563 2/20 0.50
CCNE1 P24864 2/20 0.50
CDK2 P24941 2/20 0.50
BRD4 O60885 5/20 0.49
FLT3 P36888 3/20 0.48
BTK Q06187 3/20 0.48
CDK1 P06493 1/20 0.45
CHEK1 O14757 1/20 0.45
AURKA O14965 1/20 0.45
DAPK3 O43293 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45

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
SCHEMBL29610327 1.00 JAK1 (0.61) JAK1JAK3JAK2CYP3A4EGFR
SCHEMBL341397 0.90 JAK1 (0.75) JAK1JAK3JAK2CYP3A4EGFR
SCHEMBL29610195 0.90 JAK1 (0.75) JAK1JAK3JAK2CYP3A4EGFR
SCHEMBL340094 0.86 JAK1 (0.83) JAK1JAK3JAK2CYP3A4EGFR
SCHEMBL29610014 0.86 JAK1 (0.83) JAK1JAK3JAK2CYP3A4EGFR
SCHEMBL29610461 0.83 CTSC (0.54) JAK1JAK3JAK2CYP3A4EGFR
SCHEMBL340057 0.83 CTSC (0.54) JAK1JAK3JAK2CYP3A4EGFR
SCHEMBL29610683 0.80 JAK1 (0.59) JAK1JAK3JAK2CYP3A4EGFR
SCHEMBL339911 0.80 JAK1 (0.59) JAK1JAK3JAK2CYP3A4EGFR
SCHEMBL3118591 0.79 SYK (0.64) JAK1JAK3JAK2CYP3A4EGFR

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-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
WO-2010085684-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2010-07-29 WO claimed
US-20100190770-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2010-07-29 US claimed
US-20220249475-A1 COMPOUNDS AND METHOD FOR TREATING CYTOKINE RELEASE SYNDROME RIGEL PHARMACEUTICALS, INC. (US) 2022-08-11 US disclosed
CN-114698370-A Compounds and methods for treating cytokine release syndrome 里格尔药品股份有限公司 2022-07-01 CN 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-20120016131-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
WO-2010085684-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2010-07-29 WO disclosed
US-20100190770-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2010-07-29 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 (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-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-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-20120016131-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

“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.