SCHEMBL1043246

SCHEMBL1043246

O=c1[nH]ccc2cc(-c3ccccc3Cl)nc(Nc3ccc(N4CCOCC4)cc3)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 13/20 1.00
CYP1A1 P04798 1/20 0.49
CYP1B1 Q16678 1/20 0.49
PDE2A O00408 1/20 0.47
PIK3C3 Q8NEB9 1/20 0.46
JAK2 O60674 1/20 0.46
SYK P43405 1/20 0.46
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
RECQL P46063 1/20 0.43
TTBK1 Q5TCY1 1/20 0.43
TTBK2 Q6IQ55 1/20 0.43

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
SCHEMBL31061525 1.00 ZAP70 (1.00) ZAP70CYP1A1CYP1B1PDE2APIK3C3
SCHEMBL1047707 0.96 ZAP70 (0.93) ZAP70CYP1A1CYP1B1PDE2APIK3C3
SCHEMBL12928874 0.88 ZAP70 (0.78) ZAP70JAK2SYKMEN1MAPT
SCHEMBL1044792 0.87 ZAP70 (1.00) ZAP70CYP1A1CYP1B1JAK2SYK
SCHEMBL1049985 0.86 ZAP70 (0.76) ZAP70JAK2SYKTTBK1TTBK2
SCHEMBL1047754 0.86 ZAP70 (0.78) ZAP70JAK2SYKTTBK1TTBK2
SCHEMBL1058392 0.85 ZAP70 (0.75) ZAP70CYP1A1CYP1B1PDE2AJAK2
SCHEMBL1046499 0.85 ZAP70 (0.82) ZAP70JAK2SYK
SCHEMBL1044800 0.85 ZAP70 (0.82) ZAP70JAK2SYKTTBK1TTBK2
SCHEMBL1046341 0.84 ZAP70 (0.73) ZAP70JAK2SYK

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 13 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
CN-101990539-A Compounds and compositions as kinase inhibitors IRM LLC 2011-03-23 CN 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
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 4/4885CYP1A1 2649/4885CYP1B1 1316/4885

“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.