SCHEMBL14997516

SCHEMBL14997516

CNC(=O)c1nnc(CC2CCCOC2)c2cc(-c3ccc(C)cc3)sc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.41
JAK1 P23458 5/20 0.41
TYK2 P29597 5/20 0.41
JAK3 P52333 5/20 0.41
FDPS P14324 4/20 0.39
GSK3B P49841 1/20 0.35
KCNH2 Q12809 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ATM Q13315 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BRD4 O60885 1/20 0.34
CHEK1 O14757 1/20 0.34
MMP13 P45452 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL14997526 0.95 JAK2 (0.43) JAK2JAK1TYK2JAK3FDPS
SCHEMBL8831202 0.92 CHEK1 (0.42) JAK2JAK1TYK2JAK3GSK3B
SCHEMBL14997507 0.89 CHEK1 (0.42) JAK2JAK1TYK2JAK3FDPS
SCHEMBL14997511 0.88 JAK2 (0.37) JAK2JAK1TYK2JAK3FDPS
SCHEMBL12921995 0.87 CHEK1 (0.41) JAK2JAK1TYK2JAK3GSK3B
SCHEMBL14997515 0.85 JAK2 (0.42) JAK2JAK1TYK2JAK3FDPS
SCHEMBL14997518 0.84 CHEK1 (0.41) JAK2JAK1TYK2JAK3FDPS
SCHEMBL14997522 0.84 JAK2 (0.44) JAK2JAK1TYK2JAK3FDPS
SCHEMBL13615154 0.82 JAK2 (0.38) JAK2JAK1TYK2JAK3FDPS
SCHEMBL14997523 0.82 JAK2 (0.43) JAK2JAK1TYK2JAK3FDPS

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-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

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-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.