SCHEMBL3701115

SCHEMBL3701115

NC(=O)c1ccc(F)c(C(O)c2c[nH]c3ncccc23)c1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 2/20 0.43
GRM8 O00222 1/20 0.42
GRM4 Q14833 1/20 0.42
MAP2K1 Q02750 1/20 0.41
BRAF P15056 2/20 0.39
CNR2 P34972 1/20 0.37
KDM4E B2RXH2 1/20 0.37
RPS6KB1 P23443 2/20 0.36
NEK2 P51955 1/20 0.36
PLK1 P53350 1/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
LRRK2 Q5S007 1/20 0.36
KMT2A Q03164 1/20 0.36
NUDT1 P36639 1/20 0.36
ADORA2A P29274 1/20 0.35
AXL P30530 1/20 0.35
PARP1 P09874 1/20 0.35
MTNR1A P48039 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
SCHEMBL3700070 0.84 RPS6KB1 (0.39) RPS6KB1
SCHEMBL3507088 0.84 DYRK1A (0.44) RPS6KB1NEK2AXL
SCHEMBL3701118 0.84 GRM8 (0.40) CAMKK2GRM8GRM4MAP2K1BRAF
SCHEMBL8240993 0.82 BRAF (0.47) CAMKK2GRM8GRM4MAP2K1BRAF
SCHEMBL3505623 0.82 BRAF (0.44) CAMKK2MAP2K1BRAFNEK2AXL
SCHEMBL2890696 0.82 BRAF (0.43) CAMKK2MAP2K1BRAFRPS6KB1NEK2
SCHEMBL3707346 0.81 AXL (0.52) CAMKK2RPS6KB1NEK2AXL
SCHEMBL3709080 0.81 LRRK2 (0.45) MAP2K1RPS6KB1LRRK2AXL
SCHEMBL3706478 0.80 CAMKK2 (0.37) CAMKK2BRAFRPS6KB1HTTKMT2A
SCHEMBL3504298 0.80 BRAF (0.35) CAMKK2MAP2K1BRAFNEK2AXL

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-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 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-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF CAMKK2 497/4885GRM8 3519/4885GRM4 3554/4885

“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.