SCHEMBL901654

SCHEMBL901654

Brc1cccc(Nc2cnccn2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.47
KARS1 Q15046 3/20 0.44
HPGD P15428 4/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
LYN P07948 1/20 0.38
SRC P12931 1/20 0.38
BTK Q06187 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 4/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL31143287 0.81 KDR (0.51) KDRHPGDKMT2AALDH1A1MEN1
SCHEMBL14127502 0.81 KDR (0.51) KDRHPGDKMT2AALDH1A1MEN1
SCHEMBL15679551 0.80 KMT2A (0.53) KDRHPGDKMT2AALDH1A1MEN1
SCHEMBL31069511 0.79 KDR (0.48) KDRKARS1HPGDKMT2AALDH1A1
SCHEMBL5787755 0.77 KDR (0.47) KDRHPGDKMT2AALDH1A1MEN1
SCHEMBL1702487 0.76 KMT2A (0.47) KDRKARS1HPGDKMT2AALDH1A1
SCHEMBL1612992 0.76 GSK3A (0.50) KDRKMT2AJAK2JAK1TYK2
SCHEMBL30206142 0.76 KMT2A (0.57) KDRHPGDKMT2AALDH1A1MEN1
SCHEMBL618299 0.76 KMT2A (0.57) KDRHPGDKMT2AALDH1A1MEN1
SCHEMBL4902982 0.76 SMN1; SMN2 (0.52) KDRKARS1HPGDKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745295-B2 Thiazole-substituted aminoheteroaryls as spleen tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-29 US disclosed
US-9745295-B2 Thiazole-substituted aminoheteroaryls as spleen tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-29 US disclosed
US-9745295-B2 Thiazole-substituted aminoheteroaryls as spleen tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-29 US disclosed
US-20160060255-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK CANADA INC. (CA) 2016-03-03 US disclosed
US-20160060255-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK CANADA INC. (CA) 2016-03-03 US disclosed
US-20160060255-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK CANADA INC. (CA) 2016-03-03 US disclosed
EP-2988744-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-03-02 EP disclosed
WO-2014176210-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-10-30 WO disclosed
WO-2014176210-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-10-30 WO disclosed
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 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-20160060255-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS SYK, TYRO3, BTK KDR 1454/4885KARS1 1158/4885HPGD 4424/4885

“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.