SCHEMBL10061641

SCHEMBL10061641

CNCc1cc(N)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
ADRA2B P18089 1/20 0.40
MCL1 Q07820 1/20 0.40
SLC6A4 P31645 11/20 0.40
KCNH2 Q12809 10/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 10/20 0.39
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
PRKCI P41743 1/20 0.35
ACHE P22303 1/20 0.34

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
SCHEMBL2993995 0.84 ADRA2B (0.56) NOS1NOS2ADRA2BMCL1SLC6A4
SCHEMBL10100034 0.80 ADRA2B (0.40) ADRA2BMAPTTAAR1PRKCIACHE
SCHEMBL15697702 0.79 PARP1 (0.42) ADRA2BGAAMAPTTSHRMAPK1
SCHEMBL3127209 0.79 SLC6A4 (0.54) MCL1SLC6A4KCNH2SLC6A2HTR2A
SCHEMBL1708812 0.79 MAPT (0.39) MCL1SLC6A4KCNH2SLC6A2HTR2A
SCHEMBL10061642 0.78 ALDH1A1 (0.48) SLC6A4KCNH2HTR2AGAAMAPT
SCHEMBL18588940 0.78 SLC6A4 (0.55) SLC6A4KCNH2SLC6A2HTR2A
SCHEMBL14290420 0.78 SLC6A4 (0.45) NOS1NOS2MCL1SLC6A4KCNH2
SCHEMBL14418225 0.77 SLC6A4 (0.40) SLC6A4SLC6A2GAAMAPTTSHR
SCHEMBL1467075 0.77 PRKCI (0.42) ADRA2BGAAMAPTTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2917195-B9 SPLICEOSTATIN ANALOGS PFIZER (US) 2018-05-30 EP disclosed
US-9764040-B2 Spliceostatin analogs and methods for their preparation PFIZER INC. (US) 2017-09-19 US disclosed
US-20170014523-A1 SPLICEOSTATIN ANALOGS AND METHOS FOR THEIR PREPARATION PFIZER (US) 2017-01-19 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
US-9169264-B2 Spliceostatin analogs and methods for their preparation PFIZER INC. (US) 2015-10-27 US disclosed
US-20140134193-A1 SPLICEOSTATIN ANALOGS AND METHODS FOR THEIR PREPARATION PFIZER INC. (US) 2014-05-15 US disclosed
EP-2586778-A2 Pyridazinone derivatives useful as glucan synthase inhibitors Merck Sharp & Dohme Corp. (US) 2013-05-01 EP disclosed
US-8207179-B2 Substituted indolines as tyrosine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-20100222331-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
WO-2008152014-A2 3-HETROCYCLYLIDENE-INDOLINONE DERIVATIVES AS INHIBITORS OF SPECIFIC CELL CYCLE KINASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-18 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-20160022626-A1 SPLICEOSTATIN ANALOGS AND METHODS FOR THEIR PREPARATION SF3B5, SNRPA1, SF3B1 NOS1 4521/4885NOS2 4615/4885ADRA2B 3809/4885
US-20140134193-A1 SPLICEOSTATIN ANALOGS AND METHODS FOR THEIR PREPARATION SF3B5, SNRPA1, SF3B1 NOS1 4521/4885NOS2 4615/4885ADRA2B 3809/4885
US-20170014523-A1 SPLICEOSTATIN ANALOGS AND METHOS FOR THEIR PREPARATION SF3B5, SF3B1, SNRPA1 NOS1 3080/4885NOS2 3386/4885ADRA2B 3917/4885
US-20100222331-A1 NEW COMPOUNDS CCNA1, CCNY, MKI67 NOS1 793/4885NOS2 1520/4885ADRA2B 1185/4885

“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.