SCHEMBL1679989

SCHEMBL1679989

Nc1c(Cl)cc(Cl)cc1C(O)CNCCCCCCOCCc1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.46
▸ ADRB2 P07550 12/20 0.38
▸ ADRB1 P08588 11/20 0.38
▸ SLC6A2 P23975 2/20 0.38
▸ HTR2A P28223 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ ADRA1A P35348 2/20 0.38
▸ SLC6A3 Q01959 2/20 0.38
▸ MLNR O43193 1/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ MC3R P41968 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ SCN5A Q14524 1/20 0.38
▸ GHSR Q92847 1/20 0.38
▸ ADRB3 P13945 7/20 0.38
▸ KDM4E B2RXH2 3/20 0.38

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
SCHEMBL15295668 0.88 SYK (0.37) SLC2A1KDM4ECYP1A2CYP3A4CYP2D6
Picumeterol SCHEMBL156907 0.88 SLC2A1 (0.57) SLC2A1ADRB2ADRB1SLC6A2HTR2A
Picumeterol SCHEMBL29414334 0.88 SLC2A1 (0.57) SLC2A1ADRB2ADRB1SLC6A2HTR2A
Picumeterol SCHEMBL9857897 0.88 SLC2A1 (0.57) SLC2A1ADRB2ADRB1SLC6A2HTR2A
Picumeterol SCHEMBL83175 0.88 SLC2A1 (0.57) SLC2A1ADRB2ADRB1SLC6A2HTR2A
SCHEMBL10416913 0.88 SLC2A1 (0.57) SLC2A1ADRB2ADRB1SLC6A2HTR2A
SCHEMBL10391329 0.87 SLC2A1 (0.57) SLC2A1ADRB2ADRB1SLC6A2HTR2A
SCHEMBL8743863 0.84 ADRB2 (0.48) SLC2A1ADRB2ADRB1SLC6A2HTR2A
SCHEMBL10416519 0.84 SLC2A1 (0.59) SLC2A1ADRB2ADRB1SLC6A2HTR2A
SCHEMBL9741835 0.84 SLC2A1 (0.57) SLC2A1ADRB2ADRB1SLC6A2HTR2A

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
US-10253047-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2019-04-09 — — US disclosed
US-10011600-B2 Methods and compositions for inhibition of Ras ARAXES PHARMA LLC (US) 2018-07-03 — — US disclosed
US-20180055852-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2018-03-01 — — US disclosed
US-20170369511-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2017-12-28 — — US disclosed
US-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS ARAXES PHARMA LLC (US) 2017-08-31 — — US disclosed
US-9655892-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2017-05-23 — — US disclosed
US-20160185800-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2016-06-30 — — US disclosed
US-20160158239-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2016-06-09 — — US disclosed
US-9216982-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2015-12-22 — — US disclosed
US-8993580-B2 Benzothiazole kinase inhibitors and methods of use INTELLIKINE LLC (US) 2015-03-31 — — US disclosed
US-20140341894-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2014-11-20 — — US disclosed
US-20140057844-A1 CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2014-02-27 — — US disclosed
EP-2311793-A1 Crystalline levosalbutamol sulphate (Form II) Cipla Ltd. (IN) 2011-04-20 — — EP disclosed
US-20090263333-A1 Pharmaceutical compounds and compositions CIPLA LIMITED 2009-10-22 — — US disclosed
WO-2007034207-A2 TROVENTOL FORMULATION CIPLA LIMITED (IN) 2007-03-29 — — WO disclosed
US-20040136920-A1 Medicaments GLAXO GROUP LIMITED (GB) 2004-07-15 — — 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 (10 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-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS KRAS, NRAS, HRAS SLC2A1 4691/4885ADRB2 4142/4885ADRB1 3619/4885
US-20090263333-A1 Pharmaceutical compounds and compositions ADRB3, ADRB2, ADRA2C SLC2A1 3725/4885ADRB2 2/4885ADRB1 5/4885
US-20170369511-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB SLC2A1 3358/4885ADRB2 3061/4885ADRB1 2885/4885
US-20160185800-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A SLC2A1 4464/4885ADRB2 3995/4885ADRB1 3593/4885
US-20140341894-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A SLC2A1 4344/4885ADRB2 4155/4885ADRB1 4051/4885
US-10253047-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB SLC2A1 4083/4885ADRB2 2364/4885ADRB1 2061/4885
US-20160158239-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A SLC2A1 4344/4885ADRB2 4155/4885ADRB1 4051/4885
US-10011600-B2 Methods and compositions for inhibition of Ras KRAS, NRAS, HRAS SLC2A1 4691/4885ADRB2 4142/4885ADRB1 3619/4885
US-20180055852-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB SLC2A1 3358/4885ADRB2 3061/4885ADRB1 2885/4885
US-20140057844-A1 CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF RPL30, EIF4E, EIF4EBP1 SLC2A1 4498/4885ADRB2 4859/4885ADRB1 4856/4885

“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.

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