SCHEMBL17549580

SCHEMBL17549580

Cc1ncc(-c2cccc(Nc3ccccn3)c2)s1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.57
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TLR4 O00206 1/20 0.41
TLR2 O60603 1/20 0.41

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
SCHEMBL17549579 0.81 KDR (0.53) KDRJAK2JAK3NPC1MAPT
SCHEMBL18211810 0.79 KDR (0.45) KDRJAK3
SCHEMBL20856721 0.77 KDR (0.44) KDRJAK3
SCHEMBL16205256 0.77 CD38 (0.60) KDRJAK2JAK3NPC1MAPT
SCHEMBL6180047 0.76 KDR (0.77) KDR
SCHEMBL6183208 0.75 NPC1 (0.66) KDRNPC1MAPTNFKB1RAB9A
SCHEMBL146522 0.74 KDR (0.52) KDR
SCHEMBL6837492 0.74 RAB9A (0.63) NPC1MAPTNFKB1RAB9ATLR4
SCHEMBL6179920 0.73 KDR (1.00) KDR
SCHEMBL20916718 0.72 NQO2 (0.45) KDRJAK3MAPTSMN1; SMN2

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 2 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-20160060255-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK CANADA INC. (CA) 2016-03-03 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 (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 1454/4885JAK2 5/4885JAK3 10/4885

“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.