SCHEMBL12307367

SCHEMBL12307367

Cc1ccccc1NC(=O)Nc1nc2c(s1)CN(C)CC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 4/20 0.55
KMT2A Q03164 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MAPT P10636 2/20 0.55
MEN1 O00255 1/20 0.55
HTT P42858 1/20 0.55
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 2/20 0.54
HPGD P15428 2/20 0.54
CYP2C19 P33261 2/20 0.54
F10 P00742 3/20 0.49
ALOX15 P16050 2/20 0.48
POLB P06746 1/20 0.48
GAA P10253 3/20 0.48
USP2 O75604 1/20 0.48
CASP1 P29466 1/20 0.48
BRCA1 P38398 1/20 0.48

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
SCHEMBL8843033 0.86 NPC1 (0.59) KDM4EALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL3096109 0.79 GAA (0.73) KDM4EALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL9574549 0.78 MEN1 (0.51) KDM4EALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL26884024 0.76 NPC1 (0.60) KDM4EALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL11362893 0.76 PIK3CG (0.58) KDM4EALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL8842998 0.76 NPC1 (0.66) KDM4EALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL21568700 0.75 ROCK2 (0.72) KDM4EMAPTNPC1RAB9ACYP1A2
SCHEMBL12307988 0.74 LMNA (0.53) ALDH1A1KMT2AMAPTMEN1HTT
SCHEMBL26884196 0.72 NPC1 (0.58) KDM4EALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL12922680 0.72 F10 (0.65) F10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230472-A1 RING-FUSED AZOLE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-09-22 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-20110230472-A1 RING-FUSED AZOLE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY PIK3R5, PIK3R4, PIK3R1 KDM4E 1658/4885ALDH1A1 3559/4885KMT2A 2170/4885

“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.