SCHEMBL30115073

SCHEMBL30115073

Cc1ccccc1-n1c(C(C)Nc2ncnc3c2ncn3C2CCCCO2)cc2cccc(C)c2c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 5/20 0.49
PIK3CA P42336 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP2C19 P33261 1/20 0.41
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
YTHDC1 Q96MU7 1/20 0.39
PIK3CD O00329 8/20 0.38
PIK3CG P48736 6/20 0.38
ABCB11 O95342 1/20 0.37
TBXA2R P21731 1/20 0.37
HTR2A P28223 1/20 0.37
PIK3CB P42338 1/20 0.37
PDE3A Q14432 1/20 0.37
TP53 P04637 1/20 0.37
CYP2C9 P11712 1/20 0.37
NFKB1 P19838 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL1260644 1.00 PIK3R1 (0.49) PIK3R1PIK3CANPC1RAB9ASMN1; SMN2
SCHEMBL934754 0.93 NPC1 (0.49) PIK3R1PIK3CANPC1RAB9ASMN1; SMN2
SCHEMBL28643134 0.93 NPC1 (0.49) PIK3R1PIK3CANPC1RAB9ASMN1; SMN2
SCHEMBL4412956 0.88 NPC1 (0.48) PIK3R1PIK3CANPC1RAB9ASMN1; SMN2
SCHEMBL28642662 0.88 NPC1 (0.48) PIK3R1PIK3CANPC1RAB9ASMN1; SMN2
SCHEMBL19656225 0.85 PIK3CD (0.54) PIK3R1PIK3CANPC1RAB9ASMN1; SMN2
SCHEMBL153714 0.85 PIK3CD (0.54) PIK3R1PIK3CANPC1RAB9ASMN1; SMN2
SCHEMBL153713 0.85 PIK3CD (0.54) PIK3R1PIK3CANPC1RAB9ASMN1; SMN2
SCHEMBL31628325 0.85 PIK3CD (0.54) PIK3R1PIK3CANPC1RAB9ASMN1; SMN2
SCHEMBL153834 0.84 NPC1 (0.45) PIK3R1PIK3CANPC1RAB9ASMN1; SMN2

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-20220372048-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2022-11-24 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-20220372048-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A PIK3R1 41/4885PIK3CA 1/4885NPC1 1484/4885

“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.