SCHEMBL46305

SCHEMBL46305

Cc1ccc(-c2nnn(C)n2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.52
CCR5 P51681 1/20 0.52
CCR8 P51685 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
METAP2 P50579 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2A6 P11509 1/20 0.39
PDE10A Q9Y233 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
EPHX2 P34913 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
PPARA Q07869 1/20 0.35
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35

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
SCHEMBL8117268 0.82 MAOA (0.44) RAB9ASMN1; SMN2PDE10AMAOAMAOB
SCHEMBL2644955 0.81 MAOA (0.39) RAB9ATP53SMN1; SMN2PDE10AMAOA
SCHEMBL2644959 0.81 MAOA (0.39) RAB9ATP53SMN1; SMN2PDE10AMAOA
SCHEMBL12460725 0.81 MAOA (0.36) RAB9ASMN1; SMN2PDE10AMAOAMAOB
SCHEMBL29407430 0.81 MAOA (0.36) RAB9ASMN1; SMN2PDE10AMAOAMAOB
SCHEMBL23576574 0.81 EPHX2 (0.41) RAB9ASMN1; SMN2PDE10AMAOAMAOB
SCHEMBL1557876 0.81 MAOA (0.36) RAB9ASMN1; SMN2PDE10AMAOAMAOB
SCHEMBL26421438 0.79 CCR1 (0.44) CCR1CCR5CCR8HDAC6RAB9A
SCHEMBL13771819 0.78 NPC1 (0.44) RAB9ATP53SMN1; SMN2PDE10AMAOA
SCHEMBL19245816 0.78 LMNA (0.38) RAB9ATP53SMN1; SMN2PDE10AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3513793-B1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE HOLDINGS CORP (US) 2021-03-10 EP disclosed
US-20170340641-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION 2017-11-30 US disclosed
US-9730939-B2 Heterocyclylamines as PI3K inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-08-15 US disclosed
EP-3196202-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS Incyte Holdings Corporation (US) 2017-07-26 EP disclosed
US-9707233-B2 Heterocyclylamines as PI3K inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-07-18 US disclosed
US-20160022685-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION 2016-01-28 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
EP-2578591-A1 NOVEL BENZOXAZINE OXAZOLIDINONE COMPOUNDS, PREPARATION METHODS AND USES THEREOF Shanghai Institute Materia Medica, Chinese Academy Of Sciences (CN) 2013-04-10 EP disclosed
WO-2011151436-A2 NOVEL COMPOUNDS, METHOD FOR USE THEM AND PHARMACEUTICAL COMPOSITION CONTAINING THEM EUROSCREEN S.A. (BE) 2011-12-08 WO disclosed
WO-2011147259-A1 NOVEL BENZOXAZINE OXAZOLIDINONE COMPOUNDS, PREPARATION METHODS AND USES THEREOF 中国科学院上海药物研究所 (CN) 2011-12-01 WO disclosed
WO-2010047737-A2 ANTIMICROBIAL INDOLINE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (KY) 2010-04-29 WO 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 (4 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-20170340641-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB CCR1 1106/4885CCR5 1435/4885CCR8 1709/4885
US-20160024117-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB CCR1 1106/4885CCR5 1435/4885CCR8 1709/4885
US-20130123249-A1 NOVEL BENZOXAZINE OXAZOLIDINONE COMPOUNDS, PREPARATION METHODS AND USES THEREOF XDH, OXA1L, CYP3A5 CCR1 3588/4885CCR5 1353/4885CCR8 3050/4885
US-20160022685-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB CCR1 1106/4885CCR5 1435/4885CCR8 1709/4885

“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.