SCHEMBL1048918

SCHEMBL1048918

Nc1ncc(-c2cc3cc[nH]c(=O)c3c(N)n2)cn1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.40
RPS6KA3 P51812 1/20 0.40
MELK Q14680 1/20 0.40
STK24 Q9Y6E0 1/20 0.40
ZAP70 P43403 7/20 0.39
ALOX5AP P20292 3/20 0.38
CHEK1 O14757 4/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAP3K11 Q16584 1/20 0.36
MAP4K1 Q92918 1/20 0.35
ADORA2A P29274 1/20 0.34
MAP4K4 O95819 2/20 0.34

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
SCHEMBL1050184 0.86 ZAP70 (0.51) JAK2RPS6KA3MELKSTK24ZAP70
SCHEMBL1050023 0.82 ZAP70 (0.48) JAK2RPS6KA3MELKSTK24ZAP70
SCHEMBL1158384 0.80 HDAC6 (0.41) JAK2ZAP70ALOX5AP
SCHEMBL1159263 0.80 SYK (0.50) JAK2ZAP70ALOX5AP
SCHEMBL1157977 0.80 SYK (0.55) JAK2ZAP70
SCHEMBL12796007 0.79 ZAP70 (0.38) ZAP70CHEK1
SCHEMBL1158707 0.78 ZAP70 (0.43) ZAP70ALOX5AP
SCHEMBL13752674 0.78 ZAP70 (0.57) ZAP70
SCHEMBL1158278 0.77 ZAP70 (0.43) JAK2ZAP70MAP4K4
SCHEMBL1160124 0.77 JAK2 (0.47) JAK2ZAP70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US claimed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US claimed
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP claimed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO claimed
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US disclosed
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US disclosed
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 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-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FYN, SYK, RET JAK2 63/4885RPS6KA3 444/4885MELK 255/4885

“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.