SCHEMBL18226520

SCHEMBL18226520

Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cc(C(C)(C)C)cc(S(=O)(=O)NC(C)(C)C)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 12/20 0.80
JAK2 O60674 12/20 0.80
JAK3 P52333 8/20 0.80
JAK1 P23458 8/20 0.80
FLT3 P36888 5/20 0.80
TYK2 P29597 4/20 0.80
BRDT Q58F21 3/20 0.80
RET P07949 3/20 0.80
AXL P30530 3/20 0.80
MERTK Q12866 2/20 0.80
WEE1 P30291 2/20 0.80
ALK Q9UM73 2/20 0.80
BMPR1B O00238 1/20 0.80
PLK4 O00444 1/20 0.80
STK25 O00506 1/20 0.80
CIT O14578 1/20 0.80
RIOK3 O14730 1/20 0.80
CHEK1 O14757 1/20 0.80
IKBKB O14920 1/20 0.80
CASK O14936 1/20 0.80

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
SCHEMBL18225176 0.92 BRD4 (0.83) BRD4JAK2JAK3JAK1FLT3
SCHEMBL18226180 0.92 BRD4 (0.81) BRD4JAK2JAK3JAK1FLT3
SCHEMBL16974710 0.91 JAK2 (0.80) BRD4JAK2JAK3JAK1FLT3
SCHEMBL18225659 0.90 BRD4 (0.79) BRD4JAK2JAK3JAK1FLT3
SCHEMBL18225665 0.89 JAK2 (0.78) BRD4JAK2JAK3JAK1FLT3
Fedratinib SCHEMBL29351417 0.89 BRD4 (1.00) BRD4JAK2JAK3JAK1FLT3
Fedratinib SCHEMBL263741 0.89 BRD4 (1.00) BRD4JAK2JAK3JAK1FLT3
SCHEMBL16974692 0.89 BRD4 (0.80) BRD4JAK2JAK3JAK1FLT3
Fedratinib SCHEMBL2734027 0.88 BRD4 (0.98) BRD4JAK2JAK3JAK1FLT3
Fedratinib SCHEMBL2732092 0.88 BRD4 (0.97) BRD4JAK2JAK3JAK1FLT3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10730860-B2 Diaminopyrimidine benzenesulfone derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-08-04 US disclosed
US-20190135790-A1 DIAMINOPYRIMIDINE BENZENESULFONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-05-09 US disclosed
US-10150756-B2 Diaminopyrimidine benzenesulfone derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-12-11 US disclosed
US-20160332993-A1 DIAMINOPYRIMIDINE BENZENESULFONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-11-17 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 (4 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-20160332993-A1 DIAMINOPYRIMIDINE BENZENESULFONE DERIVATIVES AND USES THEREOF BRDT, BRD4, BRPF3 BRD4 2/4885JAK2 806/4885JAK3 2823/4885
US-10150756-B2 Diaminopyrimidine benzenesulfone derivatives and uses thereof BRDT, BRD4, BRPF3 BRD4 2/4885JAK2 806/4885JAK3 2823/4885
US-20190135790-A1 DIAMINOPYRIMIDINE BENZENESULFONE DERIVATIVES AND USES THEREOF BRDT, BRD4, BRPF3 BRD4 2/4885JAK2 806/4885JAK3 2823/4885
US-10730860-B2 Diaminopyrimidine benzenesulfone derivatives and uses thereof BRDT, BRD4, BRPF3 BRD4 2/4885JAK2 806/4885JAK3 2823/4885

“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.