SCHEMBL934754

SCHEMBL934754

Cc1cccc2cc([C@H](C)Nc3ncnc4c3ncn4C3CCCCO3)n(-c3ccccc3)c(=O)c12

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PIK3R1 P27986 4/20 0.44
PIK3CA P42336 3/20 0.44
PIK3CD O00329 10/20 0.44
PIK3CG P48736 8/20 0.44
PIK3CB P42338 2/20 0.44
ABCB11 O95342 1/20 0.44
TBXA2R P21731 1/20 0.44
HTR2A P28223 1/20 0.44
PDE3A Q14432 1/20 0.44
CYP2C19 P33261 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
YTHDC1 Q96MU7 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
SCHEMBL28643134 1.00 NPC1 (0.49) NPC1RAB9ASMN1; SMN2PIK3R1PIK3CA
SCHEMBL1260644 0.93 PIK3R1 (0.49) NPC1RAB9ASMN1; SMN2PIK3R1PIK3CA
SCHEMBL30115073 0.93 PIK3R1 (0.49) NPC1RAB9ASMN1; SMN2PIK3R1PIK3CA
SCHEMBL153714 0.92 PIK3CD (0.54) NPC1RAB9ASMN1; SMN2PIK3R1PIK3CA
SCHEMBL31628325 0.92 PIK3CD (0.54) NPC1RAB9ASMN1; SMN2PIK3R1PIK3CA
SCHEMBL19656225 0.92 PIK3CD (0.54) NPC1RAB9ASMN1; SMN2PIK3R1PIK3CA
SCHEMBL153713 0.92 PIK3CD (0.54) NPC1RAB9ASMN1; SMN2PIK3R1PIK3CA
SCHEMBL31594607 0.91 PIK3R1 (0.42) NPC1RAB9ASMN1; SMN2PIK3R1PIK3CA
SCHEMBL9884066 0.91 PIK3R1 (0.42) NPC1RAB9ASMN1; SMN2PIK3R1PIK3CA
SCHEMBL4412278 0.91 PIK3R1 (0.42) NPC1RAB9ASMN1; SMN2PIK3R1PIK3CA

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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250170122-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC (US) 2025-05-29 US disclosed
US-11433065-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2022-09-06 US disclosed
US-11433065-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2022-09-06 US disclosed
US-20220265637-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2022-08-25 US disclosed
EP-3441392-B1 A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION INTELLIKINE LLC (US) 2021-12-15 EP disclosed
CN-109912599-B Chemical entities, compositions, and methods 英特利凯恩有限责任公司 2021-11-02 CN disclosed
US-20200222384-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2020-07-16 US disclosed
US-20200222384-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2020-07-16 US disclosed
US-20190290636-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2019-09-26 US disclosed
US-20190290636-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2019-09-26 US disclosed
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2012-06-14 US disclosed
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2012-06-14 US disclosed
US-8193182-B2 Substituted isoquinolin-1(2H)-ones, and methods of use thereof INTELLIKINE, INC. (US) 2012-06-05 US disclosed
US-8193182-B2 Substituted isoquinolin-1(2H)-ones, and methods of use thereof INTELLIKINE, INC. (US) 2012-06-05 US disclosed
US-8193182-B2 Substituted isoquinolin-1(2H)-ones, and methods of use thereof INTELLIKINE, INC. (US) 2012-06-05 US disclosed
EP-2456444-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Intellikine, Inc. (US) 2012-05-30 EP disclosed
WO-2011008302-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. (US) 2011-01-20 WO disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 US disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 US disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 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 (7 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-20220265637-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB NPC1 1132/4885RAB9A 1042/4885SMN1; SMN2 3325/4885
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB NPC1 1132/4885RAB9A 1042/4885SMN1; SMN2 3325/4885
US-20190290636-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB NPC1 1132/4885RAB9A 1042/4885SMN1; SMN2 3325/4885
US-20250170122-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB NPC1 1132/4885RAB9A 1042/4885SMN1; SMN2 3325/4885
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A NPC1 1337/4885RAB9A 1186/4885SMN1; SMN2 2859/4885
US-20200222384-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A NPC1 1337/4885RAB9A 1186/4885SMN1; SMN2 2859/4885
US-11433065-B2 Certain chemical entities, compositions and methods PIK3CA, AKT3, PIK3C2A NPC1 1337/4885RAB9A 1186/4885SMN1; SMN2 2859/4885

“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.