SCHEMBL823948

SCHEMBL823948

CN1C/C=C/COCc2ccc(o2)-c2ccnc(n2)Nc2ccc(OCCN3CCCC3)c(c2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 1.00
FLT3 P36888 20/20 1.00
TYK2 P29597 15/20 1.00
JAK1 P23458 14/20 1.00
CDK2 P24941 13/20 1.00
JAK3 P52333 12/20 0.84
CSF1R P07333 3/20 0.84
CDK9 P50750 2/20 0.84
CYP2C19 P33261 1/20 0.84
CYP2D6 P10635 2/20 0.63
KCNH2 Q12809 1/20 0.61
CCNA2 P20248 5/20 0.61
CCNA1 P78396 5/20 0.61
GAK O14976 1/20 0.60
STK16 O75716 1/20 0.60
STK10 O94804 1/20 0.60
MAP4K4 O95819 1/20 0.60
PRKCB P05771 1/20 0.60
LCK P06239 1/20 0.60
PDGFRB P09619 1/20 0.60

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
Ct-1578 SCHEMBL17594734 0.92 JAK2 (1.00) JAK2FLT3TYK2JAK1CDK2
Ct-1578 SCHEMBL1004926 0.92 JAK2 (1.00) JAK2FLT3TYK2JAK1CDK2
Ct-1578 SCHEMBL29456953 0.92 JAK2 (1.00) JAK2FLT3TYK2JAK1CDK2
Ct-1578 SCHEMBL29379113 0.92 JAK2 (1.00) JAK2FLT3TYK2JAK1CDK2
SCHEMBL824015 0.90 JAK2 (1.00) JAK2FLT3TYK2JAK1CDK2
SCHEMBL824086 0.88 JAK2 (0.81) JAK2FLT3TYK2JAK1CDK2
SCHEMBL823868 0.85 JAK2 (1.00) JAK2FLT3TYK2JAK1CDK2
SCHEMBL824006 0.84 JAK2 (0.74) JAK2FLT3TYK2JAK1CDK2
Ct-1578 SCHEMBL11895184 0.83 JAK2 (0.82) JAK2FLT3TYK2JAK1CDK2
SCHEMBL824102 0.82 JAK2 (0.70) JAK2FLT3TYK2JAK1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133214-B2 Heteroalkyl linked pyrimidine derivatives S*BIO PTE LTD (SG) 2015-09-15 US disclosed
US-9133214-B2 Heteroalkyl linked pyrimidine derivatives S*BIO PTE LTD (SG) 2015-09-15 US disclosed
US-20120142680-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2012-06-07 US disclosed
US-20120142680-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2012-06-07 US disclosed
US-8143255-B2 Heteroalkyl linked pyrimidine derivatives S*BIO PTE LTD. (SG) 2012-03-27 US disclosed
US-8143255-B2 Heteroalkyl linked pyrimidine derivatives S*BIO PTE LTD. (SG) 2012-03-27 US disclosed
EP-1951730-B1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S BIO PTE LTD (SG) 2010-05-26 EP disclosed
WO-2007058628-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD (SG) 2007-05-24 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 (1 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-20120142680-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES TK1, TK2, DPYD JAK2 692/4885FLT3 424/4885TYK2 989/4885

“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.