SCHEMBL15466582

SCHEMBL15466582

Cc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1Sc1ccc(NC(=O)C=CCl)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.56
JAK3 P52333 6/20 0.56
JAK1 P23458 2/20 0.54
BTK Q06187 3/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
EGFR P00533 1/20 0.49
FLT3 P36888 1/20 0.49
BLK P51451 1/20 0.49
TYK2 P29597 2/20 0.49
CCNK O75909 1/20 0.49
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
CCND3 P30281 1/20 0.49
CDK9 P50750 1/20 0.49
CDK6 Q00534 1/20 0.49
PLK4 O00444 3/20 0.48

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
SCHEMBL13170033 1.00 JAK2 (0.56) JAK2JAK3JAK1BTKHDAC1
SCHEMBL15465840 0.93 JAK2 (0.63) JAK2JAK3JAK1BTKHDAC1
SCHEMBL15465843 0.93 JAK2 (0.63) JAK2JAK3JAK1BTKHDAC1
SCHEMBL15466073 0.92 JAK2 (0.55) JAK2JAK3JAK1BTKHDAC1
SCHEMBL15466758 0.92 JAK2 (0.55) JAK2JAK3JAK1BTKHDAC1
SCHEMBL13170142 0.92 JAK2 (0.55) JAK2JAK3JAK1BTKHDAC1
SCHEMBL13170120 0.92 JAK2 (0.55) JAK2JAK3JAK1BTKHDAC1
SCHEMBL13170148 0.92 JAK2 (0.55) JAK2JAK3JAK1BTKHDAC1
SCHEMBL13169547 0.90 JAK3 (0.61) JAK2JAK3JAK1BTKHDAC1
SCHEMBL13169674 0.89 JAK2 (0.55) JAK2JAK3JAK1BTKHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040549-B2 Thiopyrimidine-based compounds and uses thereof YM BIOSCIENCES AUSTRALIA PTY LTD. (US) 2015-05-26 US disclosed
US-20140051703-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF CYTOPIA RESEARCH PTY LTD. (AU) 2014-02-20 US disclosed
US-20140045848-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF CYTOPIA RESEARCH PTY LTD. (AU) 2014-02-13 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 (2 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-20140045848-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF JAK3, JAK1, JAK2 JAK2 3/4885JAK3 1/4885JAK1 2/4885
US-20140051703-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF JAK3, JAK1, JAK2 JAK2 3/4885JAK3 1/4885JAK1 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.