SCHEMBL166265

SCHEMBL166265

CSc1nc(C(F)(F)c2ccc(F)cc2)nc2cc(C3=CCOCC3)ccc12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.37
CSNK1D P48730 3/20 0.37
CSNK1E P49674 3/20 0.37
KHK P50053 2/20 0.35
PRKDC P78527 1/20 0.34
PIK3CA P42336 1/20 0.34
ENPP2 Q13822 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
HTR1D P28221 1/20 0.32
NR1I2 O75469 1/20 0.31
KCNH2 Q12809 1/20 0.31
GRM2 Q14416 1/20 0.31
CCNT1 O60563 1/20 0.30
CDK9 P50750 1/20 0.30
IKBKE Q14164 1/20 0.30
TBK1 Q9UHD2 1/20 0.30
SUV39H2 Q9H5I1 1/20 0.30
BTK Q06187 1/20 0.30

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
SCHEMBL168727 0.78 AURKA (0.47)
SCHEMBL165112 0.77 GRM2 (0.36) PIK3CAGRM2
SCHEMBL164766 0.74 LMNA (0.42)
SCHEMBL165121 0.73 ACSS2 (0.33)
SCHEMBL166654 0.65 SCN9A (0.34) KCNH2
SCHEMBL164201 0.64 GRM5 (0.31)
SCHEMBL25082191 0.61 PIK3CA (0.46) MAPK14CSNK1DCSNK1EPIK3CACCNT1
SCHEMBL175669 0.61 PIK3CA (0.42) PIK3CAKCNH2GRM2
SCHEMBL174762 0.61 PIK3CA (0.42) PIK3CAKCNH2GRM2
SCHEMBL174952 0.61 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 MAPK14 232/4885CSNK1D 237/4885CSNK1E 160/4885

“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.