SCHEMBL823960

SCHEMBL823960

C=CCCOc1cccc(-c2ccnc(Nc3cccc(CN(C)CC=C)c3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AIMP2 Q13155 1/20 0.47
JAK2 O60674 7/20 0.44
HDAC1 Q13547 4/20 0.44
HDAC6 Q9UBN7 4/20 0.44
EGFR P00533 2/20 0.44
ABL1 P00519 2/20 0.44
BCR P11274 2/20 0.44
SRC P12931 1/20 0.44
PRKCA P17252 1/20 0.44
PRKCD Q05655 1/20 0.44
PIK3CG P48736 4/20 0.44
PIK3CA P42336 3/20 0.44
PIK3CB P42338 3/20 0.44
SYK P43405 1/20 0.42
BTK Q06187 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
CDK5 Q00535 2/20 0.40
JAK3 P52333 2/20 0.40

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
SCHEMBL824059 0.90 MAPT (0.45) AIMP2JAK2HDAC1HDAC6EGFR
SCHEMBL19766407 0.86 PLK1 (0.45) JAK2HDAC1HDAC6EGFRABL1
SCHEMBL12352801 0.85 PIK3CG (0.47) AIMP2JAK2HDAC1HDAC6EGFR
SCHEMBL11955402 0.84 ABL1 (0.47) AIMP2JAK2HDAC1HDAC6EGFR
SCHEMBL1098726 0.83 ABL1 (0.46) AIMP2JAK2HDAC1HDAC6EGFR
SCHEMBL824072 0.83 PIK3CA (0.44) JAK2EGFRABL1BCRSRC
SCHEMBL1097901 0.82 ABL1 (0.52) AIMP2JAK2HDAC1HDAC6EGFR
SCHEMBL14022863 0.81 ABL1 (0.49) AIMP2JAK2HDAC1HDAC6EGFR
SCHEMBL13355584 0.76 MAPT (0.46) AIMP2JAK2EGFRABL1BCR
SCHEMBL823940 0.73 SYK (0.39) AIMP2JAK2EGFRABL1BCR

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 21 patents — showing the first 20. 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-9133214-B2 Heteroalkyl linked pyrimidine derivatives S*BIO PTE LTD (SG) 2015-09-15 US disclosed
US-9120815-B2 Solid state forms of macrocyclic kinase inhibitors TRAGARA PHARMACEUTICALS, INC. (US) 2015-09-01 US disclosed
US-9120815-B2 Solid state forms of macrocyclic kinase inhibitors TRAGARA PHARMACEUTICALS, INC. (US) 2015-09-01 US disclosed
US-20130150378-A1 SOLID STATE FORMS OF MACROCYCLIC KINASE INHIBITORS Cothera Bioscience, Inc. (KY) 2013-06-13 US disclosed
US-20130150378-A1 SOLID STATE FORMS OF MACROCYCLIC KINASE INHIBITORS Cothera Bioscience, Inc. (KY) 2013-06-13 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-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
EP-1951730-B1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S BIO PTE LTD (SG) 2010-05-26 EP disclosed
US-20090258886-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2009-10-15 US disclosed
US-20090258886-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2009-10-15 US disclosed
US-20090258886-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2009-10-15 US disclosed
EP-1951730-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*Bio Pte Ltd (SG) 2008-08-06 EP disclosed
WO-2007058628-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD (SG) 2007-05-24 WO 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 (3 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-20090258886-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES TK1, TK2, DPYD AIMP2 2255/4885JAK2 692/4885HDAC1 2698/4885
US-20120142680-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES TK1, TK2, DPYD AIMP2 2255/4885JAK2 692/4885HDAC1 2698/4885
US-20130150378-A1 SOLID STATE FORMS OF MACROCYCLIC KINASE INHIBITORS MAP3K20, MAP3K15, MAP3K1 AIMP2 4277/4885JAK2 91/4885HDAC1 547/4885

“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.