SCHEMBL1044810

SCHEMBL1044810

NCCc1cc2cc[nH]c(=O)c2c(Nc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 4/20 0.72
LRRK2 Q5S007 1/20 0.52
BRAF P15056 1/20 0.42
SYK P43405 4/20 0.42
CAMK1D Q8IU85 2/20 0.42
PRKCE Q02156 1/20 0.41
BTK Q06187 1/20 0.41
ITK Q08881 1/20 0.41
FER P16591 1/20 0.41
EGFR P00533 4/20 0.41
HTT P42858 1/20 0.40
JAK2 O60674 1/20 0.40
RET P07949 1/20 0.40
KDR P35968 1/20 0.40
LMNA P02545 1/20 0.40
AR P10275 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 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
SCHEMBL1046978 0.94 ZAP70 (0.70) ZAP70LRRK2BRAFSYKCAMK1D
SCHEMBL1083391 0.93 ZAP70 (0.69) ZAP70LRRK2BRAFSYKCAMK1D
SCHEMBL1048050 0.88 ZAP70 (0.62) ZAP70LRRK2BRAFFEREGFR
SCHEMBL1049378 0.85 ZAP70 (0.63) ZAP70LRRK2BRAFSYKCAMK1D
SCHEMBL12794764 0.85 ZAP70 (0.59) ZAP70FERJAK2
SCHEMBL1045408 0.84 ZAP70 (1.00) ZAP70LRRK2BRAFSYKCAMK1D
SCHEMBL1050028 0.83 ZAP70 (0.66) ZAP70LRRK2BRAFFERHTT
SCHEMBL1045593 0.81 ZAP70 (0.63) ZAP70LRRK2HTTLMNA
SCHEMBL12928803 0.80 ZAP70 (0.55) ZAP70LRRK2SYKITKFER
SCHEMBL1046591 0.79 ZAP70 (0.52) ZAP70LRRK2SYKITKFER

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 12 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
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
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 4/4885LRRK2 517/4885BRAF 113/4885

“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.