SCHEMBL1049397

SCHEMBL1049397

O=c1[nH]ccc2c(-c3cccnc3)cnc(Nc3ccccc3)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.48
ZAP70 P43403 2/20 0.48
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
LMNA P02545 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
TSHR P16473 2/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
PRKCA P17252 1/20 0.43
PRKCD Q05655 1/20 0.43
MAPK1 P28482 2/20 0.43
RAF1 P04049 1/20 0.43
HIF1A Q16665 1/20 0.43
AURKA O14965 2/20 0.42
TTBK1 Q5TCY1 2/20 0.40
TTBK2 Q6IQ55 2/20 0.40
PADI4 Q9UM07 1/20 0.40

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
SCHEMBL1049635 0.91 ZAP70 (0.53) ZAP70CLK4EGFRAURKATTBK1
SCHEMBL1047814 0.87 CYP3A4 (0.45) NUDT1ZAP70CYP1A2CYP3A4LMNA
SCHEMBL1048999 0.84 ZAP70 (0.49) ZAP70CLK4EGFRAURKATTBK1
SCHEMBL1048512 0.83 ZAP70 (0.47) ZAP70LMNAEGFRTTBK1TTBK2
SCHEMBL1045599 0.83 ZAP70 (0.47) ZAP70CLK4EGFRAURKATTBK1
SCHEMBL1048942 0.83 ZAP70 (0.48) ZAP70LMNAALDH1A1TTBK1TTBK2
SCHEMBL1043299 0.83 JAK2 (0.49) ZAP70TTBK1TTBK2JAK2FGFR1
SCHEMBL27806170 0.83 ZAP70 (0.51) ZAP70CYP1A2CYP3A4LMNACLK4
SCHEMBL1049370 0.82 ZAP70 (0.46) NUDT1ZAP70CYP1A2CYP3A4ALDH1A1
SCHEMBL1045523 0.82 JAK2 (0.49) ZAP70CLK4TTBK1TTBK2JAK2

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 3 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
CN-101990539-A Compounds and compositions as kinase inhibitors IRM LLC 2011-03-23 CN 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 NUDT1 3348/4885ZAP70 4/4885CYP1A2 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.