SCHEMBL13615154

SCHEMBL13615154

Cc1ccc(-c2cc3c(CC4CCOC4)nnc(C(=O)N(C)C)c3s2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
TYK2 P29597 2/20 0.38
JAK3 P52333 2/20 0.38
FYN P06241 1/20 0.37
FDPS P14324 4/20 0.35
MCHR1 Q99705 3/20 0.35
CHEK1 O14757 2/20 0.34
S1PR1 P21453 1/20 0.32
MAP3K8 P41279 1/20 0.32
P2RX3 P56373 2/20 0.31
P2RX2 Q9UBL9 2/20 0.31
ADORA2A P29274 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
SCHEMBL14997511 0.95 JAK2 (0.37) JAK2JAK1TYK2JAK3FYN
SCHEMBL8832451 0.92 MCHR1 (0.42) JAK2JAK1TYK2JAK3FYN
SCHEMBL14997518 0.89 CHEK1 (0.41) JAK2JAK1TYK2JAK3FDPS
SCHEMBL14997526 0.87 JAK2 (0.43) JAK2JAK1TYK2JAK3FDPS
SCHEMBL8828298 0.87 CHEK1 (0.42) JAK2JAK1TYK2JAK3MCHR1
SCHEMBL14997525 0.85 CHEK1 (0.36) JAK2JAK1TYK2JAK3FYN
SCHEMBL14997524 0.84 CHEK1 (0.41) JAK2JAK1TYK2JAK3CHEK1
SCHEMBL14997507 0.84 CHEK1 (0.42) JAK2JAK1TYK2JAK3FDPS
SCHEMBL14997516 0.82 JAK2 (0.41) JAK2JAK1TYK2JAK3FDPS
SCHEMBL12922036 0.80 MAPT (0.38) MCHR1CHEK1

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.