Sugi Predict

Sugi Predict / Compounds / SCHEMBL8917126

SCHEMBL8917126

SCHEMBL8917126

CN(C)C1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.84

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL3 Q96JM7 3/20 0.84
▸ ACHE P22303 1/20 0.68
▸ L3MBTL1 Q9Y468 2/20 0.67
▸ EPHX1 P07099 1/20 0.58
▸ HPGD P15428 1/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ CCR5 P51681 1/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ HDAC4 P56524 1/20 0.53
▸ SIGMAR1 Q99720 1/20 0.53
▸ BLM P54132 1/20 0.53
▸ MGLL Q99685 1/20 0.52
▸ HSD11B1 P28845 1/20 0.52

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
SCHEMBL10293598 0.90 L3MBTL3 (0.69) L3MBTL3ACHEL3MBTL1EPHX1SMN1; SMN2
SCHEMBL10293555 0.90 L3MBTL3 (0.69) L3MBTL3ACHEL3MBTL1EPHX1SMN1; SMN2
SCHEMBL25498559 0.85 L3MBTL3 (0.87) L3MBTL3ACHEL3MBTL1HPGDKMT2A
SCHEMBL10195702 0.85 L3MBTL3 (0.87) L3MBTL3L3MBTL1HPGDSMN1; SMN2KMT2A
SCHEMBL26773746 0.84 L3MBTL3 (0.84) L3MBTL3ACHEL3MBTL1HPGDKMT2A
SCHEMBL3668368 0.84 L3MBTL3 (0.59) L3MBTL3ACHEL3MBTL1EPHX1HPGD
SCHEMBL16825022 0.84 L3MBTL3 (0.79) L3MBTL3ACHEL3MBTL1KMT2AMEN1
SCHEMBL17271879 0.84 L3MBTL3 (0.84) L3MBTL3ACHEL3MBTL1HPGDKMT2A
SCHEMBL3399465 0.84 L3MBTL3 (0.84) L3MBTL3ACHEL3MBTL1KMT2AMEN1
SCHEMBL18375398 0.83 L3MBTL3 (0.57) L3MBTL3ACHEL3MBTL1HPGDSMN1; 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107205923-A Preparation for the PI3K/MTOR inhibitor of intravenous administration 辉瑞大药厂 2017-09-26 — — CN claimed
CN-107205923-A Preparation for the PI3K/MTOR inhibitor of intravenous administration 辉瑞大药厂 2017-09-26 — — CN disclosed
CN-107106685-A Synergistic auristatin combinations 辉瑞公司 2017-08-29 — — CN disclosed
US-9724352-B2 Pyrrolo[2,1-F[1,2,4]triazine compounds, preparation methods and applications thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-08-08 — — US disclosed
US-20170000800-A1 PYRROLO[2,1-F[1,2,4]TRIAZINE COMPOUNDS, PREPARATION METHODS AND APPLICATIONS THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-01-05 — — US disclosed
US-9447101-B2 Pyrrolo[2,1-f][1,2,4]triazine compound, and preparation method and application thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2016-09-20 — — US disclosed
US-20150141644-A1 PYRROLO[2,1-F][1,2,4]TRIAZINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-05-21 — — US disclosed
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 — — EP disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 — — US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 — — US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 — — US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 — — US disclosed
EP-2471787-A1 New compounds Boehringer Ingelheim International GmbH (DE) 2012-07-04 — — EP disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 — — US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 — — US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 — — US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 — — US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 — — US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 — — US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 — — 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 (5 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-20170000800-A1 PYRROLO[2,1-F[1,2,4]TRIAZINE COMPOUNDS, PREPARATION METHODS AND APPLICATIONS THEREOF PIK3CA, PIP4K2B, PIK3R5 L3MBTL3 4795/4885ACHE 4805/4885L3MBTL1 4687/4885
US-20150141644-A1 PYRROLO[2,1-F][1,2,4]TRIAZINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF PIK3CA, PIK3R5, PIP4K2B L3MBTL3 4825/4885ACHE 4757/4885L3MBTL1 4714/4885
US-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 L3MBTL3 785/4885ACHE 2668/4885L3MBTL1 502/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 L3MBTL3 908/4885ACHE 4115/4885L3MBTL1 533/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 L3MBTL3 2031/4885ACHE 2757/4885L3MBTL1 1465/4885

“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.