SCHEMBL3459871

SCHEMBL3459871

NC(=O)c1ccccc1Cc1ccc(F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.46
GPR52 Q9Y2T5 3/20 0.46
RPS6KB1 P23443 2/20 0.45
AURKA O14965 1/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
TSHR P16473 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
PARP1 P09874 2/20 0.39
KCNN4 O15554 1/20 0.39
FYN P06241 1/20 0.39
PARP10 Q53GL7 2/20 0.39
PARP15 Q460N3 1/20 0.39
PARP14 Q460N5 1/20 0.39
MPO P05164 1/20 0.38
PTPN1 P18031 1/20 0.38

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
SCHEMBL1500536 0.82 TSHR (0.51) MAPK8RPS6KB1AURKALMNAHTT
SCHEMBL3462285 0.81 MAPK8 (0.48) MAPK8GPR52RPS6KB1AURKAKDM4E
SCHEMBL28177161 0.79 TBXA2R (0.54) LMNATSHRKDM4EALDH1A1
SCHEMBL3461077 0.79 TSHR (0.51) MAPK8LMNATSHRKDM4EALDH1A1
SCHEMBL3461564 0.78 MAPK8 (0.49) MAPK8RPS6KB1AURKALMNAHTT
SCHEMBL3461101 0.78 ADRA1D (0.49) MAPK8GPR52LMNAKDM4EALDH1A1
SCHEMBL3461063 0.78 TBXA2R (0.55) RPS6KB1AURKALMNATSHRKDM4E
SCHEMBL1004028 0.78 TSHR (0.58) TSHRKDM4EALDH1A1CA1CA2
SCHEMBL7134588 0.77 TSHR (0.54) TSHRKDM4EALDH1A1PARP1
SCHEMBL5723934 0.77 KEAP1 (0.56) RPS6KB1AURKATSHRKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 US 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-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 MAPK8 224/4885GPR52 643/4885RPS6KB1 180/4885

“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.