SCHEMBL166169

SCHEMBL166169

CSc1nc(C(F)(F)c2ccc(F)cc2)nc2cc(-c3ccccc3O)ccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
NPC1 O15118 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPK1 P28482 2/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
CHUK O15111 1/20 0.34
TXNRD1 Q16881 1/20 0.34
NOX4 Q9NPH5 1/20 0.34
PTPN5 P54829 1/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
CTNNB1 P35222 1/20 0.33
TCF7L2 Q9NQB0 1/20 0.33
POLB P06746 2/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
PGR P06401 1/20 0.33

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
SCHEMBL165112 0.80 GRM2 (0.36) PIK3CAGRM2
SCHEMBL164790 0.77 AURKA (0.54) CYP1A2CYP2C19
SCHEMBL164766 0.76 LMNA (0.42) MEN1KMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL166265 0.74 MAPK14 (0.37) PIK3CANR1I2KCNH2GRM2
SCHEMBL165121 0.72 ACSS2 (0.33)
SCHEMBL166654 0.68 SCN9A (0.34) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL164991 0.66 GRM2 (0.41) MEN1KMT2AKDM4EMAPTCTNNB1
SCHEMBL164201 0.66 GRM5 (0.31)
SCHEMBL164199 0.65 CCNE2 (0.41) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL174952 0.65 PIK3CA (0.42) PIK3CAKCNH2GRM2

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-20130225578-A1 7-CYCLYLQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-08-29 US disclosed
EP-2611448-A1 7-CYCLYLQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
WO-2012030912-A1 7-CYCLYLQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 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-20130225578-A1 7-CYCLYLQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF JAK2, JAK3, TYK2 MEN1 3010/4885NPC1 2468/4885KMT2A 1014/4885

“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.