SCHEMBL164766

SCHEMBL164766

CSc1nc(C(F)(F)c2ccc(F)cc2)nc2cc(-c3c(C)noc3C)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2C19 P33261 3/20 0.42
HIF1A Q16665 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
USP2 O75604 2/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
PIK3CD O00329 1/20 0.41
MLYCD O95822 1/20 0.41
TSHR P16473 1/20 0.38
BRD4 O60885 8/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
APEX1 P27695 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CREBBP Q92793 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
SCHEMBL165112 0.78 GRM2 (0.36)
SCHEMBL165986 0.78 AURKA (0.48) LMNACYP1A2CYP2C19HIF1ACLK4
SCHEMBL166169 0.76 MEN1 (0.35) LMNACYP1A2CYP2C19MEN1KMT2A
SCHEMBL166265 0.74 MAPK14 (0.37)
SCHEMBL165121 0.71 ACSS2 (0.33)
SCHEMBL16404607 0.68 BRD4 (0.66) LMNACYP1A2CYP2C19HIF1ACLK4
SCHEMBL166654 0.67 SCN9A (0.34) LMNATP53TSHRMEN1KMT2A
SCHEMBL164201 0.65 GRM5 (0.31)
SCHEMBL163386 0.63 GRM2 (0.39) LMNAMEN1KMT2AALDH1A1
SCHEMBL164991 0.63 GRM2 (0.41) LMNAMEN1KMT2AALDH1A1

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 LMNA 2516/4885CYP1A2 1850/4885CYP2C19 1683/4885

“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.