SCHEMBL12307656

SCHEMBL12307656

CC(=O)Nc1nc2c(s1)CN(c1ccccc1)CC2

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 7/20 0.78
GAA P10253 5/20 0.55
SLC27A1 Q6PCB7 1/20 0.53
ALDH1A1 P00352 7/20 0.52
KMT2A Q03164 4/20 0.52
RAB9A P51151 4/20 0.52
KDM4E B2RXH2 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
NPC1 O15118 2/20 0.52
POLB P06746 2/20 0.52
MAPK1 P28482 1/20 0.52
MAPT P10636 5/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 1/20 0.51
OGA O60502 1/20 0.49

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
SCHEMBL12307735 0.89 PIK3CG (0.76) PIK3CGGAASLC27A1ALDH1A1KMT2A
SCHEMBL12307654 0.88 PIK3CG (0.62) PIK3CGGAASLC27A1ALDH1A1KMT2A
SCHEMBL10085357 0.88 PIK3CG (1.00) PIK3CGGAAALDH1A1KMT2ARAB9A
SCHEMBL10085362 0.86 PIK3CG (0.76) PIK3CGALDH1A1RAB9AKDM4ESMN1; SMN2
SCHEMBL10085355 0.81 PIK3CG (0.74) PIK3CGRAB9ANPC1MAPTCYP1A2
SCHEMBL10085345 0.81 PIK3CG (0.76) PIK3CGGAASLC27A1RAB9ANPC1
SCHEMBL10085359 0.80 PIK3CG (1.00) PIK3CGALDH1A1RAB9ANPC1MAPK1
SCHEMBL10085356 0.80 PIK3CG (1.00) PIK3CGALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL16888149 0.80 RORC (0.55) PIK3CGGAASLC27A1ALDH1A1KMT2A
SCHEMBL10085363 0.79 PIK3CG (0.75) PIK3CGRAB9ANPC1MAPTCYP1A2

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-20110230472-A1 RING-FUSED AZOLE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-09-22 US disclosed
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 PIK3CG 14/4885GAA 2338/4885SLC27A1 1357/4885

“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.