Sugi Predict

Sugi Predict / Compounds / SCHEMBL2993995

SCHEMBL2993995

SCHEMBL2993995

CNCc1ccc(N)cc1F

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADRA2B P18089 1/20 0.56
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SLC6A4 P31645 11/20 0.39
▸ KCNH2 Q12809 8/20 0.39
▸ HTR2A P28223 8/20 0.39
▸ PARP1 P09874 2/20 0.39
▸ AKR1B1 P15121 1/20 0.39
▸ MCL1 Q07820 1/20 0.37
▸ SLC6A2 P23975 3/20 0.36
▸ NOS1 P29475 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ SLC6A3 Q01959 2/20 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
SCHEMBL10061641 0.84 NOS1 (0.44) ADRA2BGAAMAPTTSHRMAPK1
SCHEMBL18392592 0.81 ADRA2B (0.53) ADRA2BGAAMAPTTSHRMAPK1
SCHEMBL31175766 0.81 ADRA2B (0.50) ADRA2BGAAMAPTTSHRMAPK1
SCHEMBL26037690 0.81 ADRA2B (0.50) ADRA2BGAAMAPTTSHRMAPK1
SCHEMBL18392591 0.79 ADRA2B (0.51) ADRA2BGAAMAPTTSHRMAPK1
SCHEMBL15697693 0.79 ADRA2B (0.51) ADRA2BGAAMAPTTSHRMAPK1
SCHEMBL2095744 0.79 SLC6A4 (0.49) GAASLC6A4KCNH2HTR2AMCL1
SCHEMBL6336485 0.79 GAA (0.44) ADRA2BGAAMAPTTSHRMAPK1
SCHEMBL21649888 0.78 KDM4E (0.44) SLC6A4KCNH2HTR2APARP1MCL1
Hydrochloric Acid SCHEMBL29289846 0.78 IDO1 (0.50) GAASLC6A4KCNH2HTR2AMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2917195-B9 SPLICEOSTATIN ANALOGS PFIZER (US) 2018-05-30 — — EP disclosed
US-9926291-B2 Synthesis of thiohydantoins SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2018-03-27 — — US disclosed
US-9764040-B2 Spliceostatin analogs and methods for their preparation PFIZER INC. (US) 2017-09-19 — — US disclosed
US-20170081308-A1 SYNTHESIS OF THIOHYDANTOINS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2017-03-23 — — US disclosed
US-20170014523-A1 SPLICEOSTATIN ANALOGS AND METHOS FOR THEIR PREPARATION PFIZER (US) 2017-01-19 — — US disclosed
US-9512103-B2 Synthesis of thiohydantoins SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2016-12-06 — — US disclosed
US-9504669-B2 Spliceostatin analogs and methods for their preparation PFIZER INC. (US) 2016-11-29 — — US disclosed
US-20160022626-A1 SPLICEOSTATIN ANALOGS AND METHODS FOR THEIR PREPARATION PFIZER (US) 2016-01-28 — — US disclosed
EP-2975042-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY Boehringer Ingelheim International GmbH (DE) 2016-01-20 — — EP disclosed
US-9169264-B2 Spliceostatin analogs and methods for their preparation PFIZER INC. (US) 2015-10-27 — — US disclosed
US-20150191449-A1 SYNTHESIS OF THIOHYDANTOINS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2015-07-09 — — US disclosed
US-8987452-B2 Synthesis of thiohydantoins SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2015-03-24 — — US disclosed
US-20140134193-A1 SPLICEOSTATIN ANALOGS AND METHODS FOR THEIR PREPARATION PFIZER INC. (US) 2014-05-15 — — US disclosed
WO-2014068443-A1 SPLICEOSTATIN ANALOGS PFIZER INC. (US) 2014-05-08 — — WO disclosed
US-20130225821-A1 SYNTHESIS OF THIOHYDANTOINS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2013-08-29 — — US disclosed
US-8461343-B2 Synthesis of thiohydantoins SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2013-06-11 — — US disclosed
US-20100190991-A1 SYNTHESIS OF THIOHYDANTOINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-07-29 — — US disclosed
WO-2008119015-A2 SYNTHESIS OF THIOHYDANTOINS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2008-10-02 — — 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 (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-20160022626-A1 SPLICEOSTATIN ANALOGS AND METHODS FOR THEIR PREPARATION SF3B5, SNRPA1, SF3B1 ADRA2B 3809/4885GAA 1710/4885MAPT 4257/4885
US-20140134193-A1 SPLICEOSTATIN ANALOGS AND METHODS FOR THEIR PREPARATION SF3B5, SNRPA1, SF3B1 ADRA2B 3809/4885GAA 1710/4885MAPT 4257/4885
US-20150191449-A1 SYNTHESIS OF THIOHYDANTOINS TPD52L2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC2 ADRA2B 1212/4885GAA 4356/4885MAPT 2546/4885
US-20100190991-A1 SYNTHESIS OF THIOHYDANTOINS TPD52L2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC2 ADRA2B 1212/4885GAA 4356/4885MAPT 2546/4885
US-20170081308-A1 SYNTHESIS OF THIOHYDANTOINS TPD52L2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC2 ADRA2B 1212/4885GAA 4356/4885MAPT 2546/4885
US-20170014523-A1 SPLICEOSTATIN ANALOGS AND METHOS FOR THEIR PREPARATION SF3B5, SF3B1, SNRPA1 ADRA2B 3917/4885GAA 3566/4885MAPT 4021/4885
US-20130225821-A1 SYNTHESIS OF THIOHYDANTOINS TPD52L2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC2 ADRA2B 1212/4885GAA 4356/4885MAPT 2546/4885

“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.