SCHEMBL13765797

SCHEMBL13765797

Cn1nnc(-c2ccc(C(C)(C)C)cn2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 3/20 0.44
TP53 P04637 3/20 0.44
RECQL P46063 1/20 0.44
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
EPHX2 P34913 1/20 0.34
PDE10A Q9Y233 2/20 0.34
PPARA Q07869 1/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
PDK2 Q15119 1/20 0.32
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
CCR9 P51686 1/20 0.31
ALOX5AP P20292 1/20 0.31

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
SCHEMBL29454958 0.86 NPSR1 (0.43) MAOAMAOBPDK2KDM4ENPSR1
SCHEMBL22542280 0.83 MAOA (0.34) RAB9ASMN1; SMN2NPC1TP53RECQL
SCHEMBL46305 0.78 CCR1 (0.52) RAB9ASMN1; SMN2NPC1TP53MAOA
SCHEMBL8117268 0.78 MAOA (0.44) RAB9ASMN1; SMN2NPC1MAOAMAOB
SCHEMBL23576574 0.77 EPHX2 (0.41) RAB9ASMN1; SMN2NPC1MAOAMAOB
SCHEMBL29407430 0.77 MAOA (0.36) RAB9ASMN1; SMN2NPC1MAOAMAOB
SCHEMBL2644959 0.77 MAOA (0.39) RAB9ASMN1; SMN2NPC1TP53RECQL
SCHEMBL12460725 0.77 MAOA (0.36) RAB9ASMN1; SMN2NPC1MAOAMAOB
SCHEMBL1557876 0.77 MAOA (0.36) RAB9ASMN1; SMN2NPC1MAOAMAOB
SCHEMBL2644955 0.77 MAOA (0.39) RAB9ASMN1; SMN2NPC1TP53RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216377-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION 2024-07-04 US disclosed
US-11819505-B2 Heterocyclylamines as PI3K inhibitors INCYTE CORPORATION (US) 2023-11-21 US disclosed
US-11819505-B2 Heterocyclylamines as PI3K inhibitors INCYTE CORPORATION (US) 2023-11-21 US disclosed
US-20230121440-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE HOLDINGS CORPORATION 2023-04-20 US disclosed
US-20200323858-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION 2020-10-15 US disclosed
US-10646492-B2 Heterocyclylamines as PI3K inhibitors INCYTE CORPORATION (US) 2020-05-12 US disclosed
US-20190298724-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION 2019-10-03 US disclosed
US-10376513-B2 Heterocyclylamines as PI3K inhibitors INCYTE HOLDINGS CORPORATION (US) 2019-08-13 US disclosed
US-20190134040-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION 2019-05-09 US disclosed
US-20170340641-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION 2017-11-30 US disclosed
US-20160024117-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION 2016-01-28 US disclosed
US-9199982-B2 Heterocyclylamines as PI3K inhibitors INCYTE HOLDINGS CORPORATION (US) 2015-12-01 US disclosed
US-9090561-B2 Acetylenic heteroaryl compounds ARIAD PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-8507481-B2 Benzoxazine oxazolidinone compounds, preparation methods and uses thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2013-08-13 US disclosed
US-8461167-B2 Acetylenic heteroaryl compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
US-20130123249-A1 NOVEL BENZOXAZINE OXAZOLIDINONE COMPOUNDS, PREPARATION METHODS AND USES THEREOF NANJING CHANGAO PHARMACEUTICAL SCIENCE & TECHNOLOGY CO., LIMITED (CN) 2013-05-16 US disclosed
US-20130059835-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2013-03-07 US disclosed
US-20130018046-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-01-17 US disclosed
US-20130018046-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-01-17 US disclosed
US-20090176781-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. 2009-07-09 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 (14 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-20230121440-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB RAB9A 979/4885SMN1; SMN2 4552/4885NPC1 2696/4885
US-20090176781-A1 Acetylenic Heteroaryl Compounds NAT1, AADAC, ACACA RAB9A 1453/4885SMN1; SMN2 3919/4885NPC1 183/4885
US-20240216377-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB RAB9A 979/4885SMN1; SMN2 4552/4885NPC1 2696/4885
US-20170340641-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB RAB9A 979/4885SMN1; SMN2 4552/4885NPC1 2696/4885
US-20160024117-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB RAB9A 979/4885SMN1; SMN2 4552/4885NPC1 2696/4885
US-20130018046-A1 Acetylenic Heteroaryl Compounds NAT1, AADAC, ACACA RAB9A 1453/4885SMN1; SMN2 3919/4885NPC1 183/4885
US-11819505-B2 Heterocyclylamines as PI3K inhibitors PIK3CA, PIK3CD, PIK3CB RAB9A 979/4885SMN1; SMN2 4552/4885NPC1 2696/4885
US-20130123249-A1 NOVEL BENZOXAZINE OXAZOLIDINONE COMPOUNDS, PREPARATION METHODS AND USES THEREOF XDH, OXA1L, CYP3A5 RAB9A 3039/4885SMN1; SMN2 4046/4885NPC1 1945/4885
US-20190134040-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB RAB9A 979/4885SMN1; SMN2 4552/4885NPC1 2696/4885
US-10646492-B2 Heterocyclylamines as PI3K inhibitors PIK3CA, PIK3CD, PIK3CB RAB9A 979/4885SMN1; SMN2 4552/4885NPC1 2696/4885
US-20190298724-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB RAB9A 979/4885SMN1; SMN2 4552/4885NPC1 2696/4885
US-10376513-B2 Heterocyclylamines as PI3K inhibitors PIK3CA, PIK3CD, PIK3CB RAB9A 979/4885SMN1; SMN2 4552/4885NPC1 2696/4885
US-20200323858-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB RAB9A 979/4885SMN1; SMN2 4552/4885NPC1 2696/4885
US-20130059835-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB RAB9A 979/4885SMN1; SMN2 4552/4885NPC1 2696/4885

“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.