SCHEMBL1048579

SCHEMBL1048579

O=c1[nH]ccc2cc(-c3cncnc3)nc(Cc3cccc(C(F)(F)F)c3)c12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 5/20 0.47
DAO P14920 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
TNIK Q9UKE5 1/20 0.37
XDH P47989 1/20 0.37
LTA4H P09960 1/20 0.37
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL1049151 0.85 ZAP70 (0.46) ZAP70CYP2C9XDH
SCHEMBL1048014 0.76 ZAP70 (0.44) ZAP70CYP2C9XDH
SCHEMBL1050184 0.69 ZAP70 (0.51) ZAP70
SCHEMBL1045352 0.69 ZAP70 (0.59) ZAP70
SCHEMBL31178090 0.68 TAAR1 (0.50) DAOCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1050028 0.68 ZAP70 (0.66) ZAP70XDH
SCHEMBL1045593 0.66 ZAP70 (0.63) ZAP70CYP1A2CYP3A4CYP2C9
SCHEMBL29738927 0.65 DAO (0.51) DAO
SCHEMBL1048436 0.65 ZAP70 (0.58) ZAP70
Water SCHEMBL29809068 0.64 DAO (0.50) DAO

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-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
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP 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 ZAP70 4/4885DAO 4332/4885CYP1A2 3670/4885

“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.