SCHEMBL16727240

SCHEMBL16727240

CNc1nc(C)c2cc(-c3cccc(C)c3)ccc2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM58 Q8NG06 3/20 0.58
MAP4K4 O95819 1/20 0.47
NUDT1 P36639 1/20 0.45
MAPT P10636 4/20 0.45
TP53 P04637 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
BRD4 O60885 1/20 0.40
STAT3 P40763 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
ENPP3 O14638 1/20 0.39

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
SCHEMBL12575960 0.86 TRIM58 (0.56) TRIM58MAP4K4NUDT1CYP1A2CYP3A4
SCHEMBL12575874 0.82 TRIM58 (0.55) TRIM58MAP4K4NUDT1MAPTALDH1A1
SCHEMBL16727526 0.82 TRIM58 (0.48) TRIM58MAP4K4NUDT1MAPTALDH1A1
SCHEMBL12575884 0.81 TRIM58 (0.56) TRIM58NUDT1MAPTALDH1A1LMNA
SCHEMBL16727238 0.79 MAPT (0.52) MAP4K4MAPTTP53ALDH1A1LMNA
SCHEMBL16727236 0.79 MAP4K4 (0.56) MAP4K4NUDT1ALDH1A1KMT2ACYP1A2
SCHEMBL16727237 0.78 TRIM58 (0.50) TRIM58MAP4K4NUDT1MAPTALDH1A1
SCHEMBL17803859 0.78 TRIM58 (0.50) TRIM58NUDT1MAPTALDH1A1KMT2A
SCHEMBL17803860 0.78 TRIM58 (0.50) TRIM58MAP4K4NUDT1MAPTALDH1A1
SCHEMBL12575860 0.76 TRIM58 (0.51) TRIM58NUDT1MAPTALDH1A1LMNA

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-9359349-B2 Substituted quinazolines as kinase inhibitors INTELLIKINE LLC (US) 2016-06-07 US disclosed
US-20150141442-A1 CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 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-20150141442-A1 CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF PIK3CA, PIK3CB, PIK3C3 TRIM58 2447/4885MAP4K4 135/4885NUDT1 1224/4885

“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.