SCHEMBL13615175

SCHEMBL13615175

Cc1ccc(-c2cc3c(Cc4ccoc4)nnc(C(=O)N(C)C)c3s2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
TYK2 P29597 2/20 0.36
JAK3 P52333 2/20 0.36
MAP3K8 P41279 1/20 0.35
FDPS P14324 2/20 0.34
PTGER4 P35408 5/20 0.33
CHEK1 O14757 2/20 0.32
TRPM8 Q7Z2W7 1/20 0.31
HSD17B1 P14061 2/20 0.31
HSD17B2 P37059 2/20 0.31
MCHR1 Q99705 1/20 0.31
GSK3B P49841 1/20 0.31
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL12922013 0.91 CHEK1 (0.39) JAK2JAK1TYK2JAK3MAP3K8
SCHEMBL14038886 0.88 JAK2 (0.39) JAK2JAK1TYK2JAK3MAP3K8
SCHEMBL14038891 0.87 JAK2 (0.45) JAK2JAK1TYK2JAK3MAP3K8
SCHEMBL14038901 0.83 JAK2 (0.37) JAK2JAK1TYK2JAK3MAP3K8
SCHEMBL14038918 0.82 CYP1A2 (0.44) JAK2JAK1TYK2JAK3GSK3B
SCHEMBL12922014 0.79 CHEK1 (0.40) JAK2JAK1TYK2JAK3MAP3K8
SCHEMBL12922040 0.79 MAPT (0.41) CHEK1TRPM8GAAALDH1A1
SCHEMBL8847412 0.78 CHEK1 (0.39) JAK2MAP3K8CHEK1GSK3BRAB9A
SCHEMBL8832272 0.78 CHEK1 (0.39) JAK2JAK1TYK2JAK3MAP3K8
SCHEMBL8827320 0.78 CHEK1 (0.49) MAP3K8CHEK1MCHR1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249154-B2 Compounds and therapeutic use thereof for protein kinase inhibition WU ZHANGGUI (US) 2016-02-02 US disclosed
US-20130143887-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION WU ZHANGGUI (US) 2013-06-06 US disclosed
US-8318740-B2 Compounds for protein kinase inhibition WU ZHANGGUI (US) 2012-11-27 US disclosed
US-20090275585-A1 Novel Compounds and Therapeutic Use Thereof for Protein Kinase Inhibition WU ZHANGGUI 2009-11-05 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-20090275585-A1 Novel Compounds and Therapeutic Use Thereof for Protein Kinase Inhibition CHEK2, CHEK1, PLK1 JAK2 1239/4885JAK1 1565/4885TYK2 893/4885
US-20130143887-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION CHEK2, CHEK1, PLK1 JAK2 1239/4885JAK1 1565/4885TYK2 893/4885

“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.