SCHEMBL15064978

SCHEMBL15064978

COc1cc(C=O)c(OCc2cccnc2-c2cccnc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.45
KCNA5 P22460 2/20 0.41
CYP19A1 P11511 3/20 0.39
KCNN4 O15554 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP2A6 P11509 1/20 0.39
TSHR P16473 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
CYP11B1 P15538 4/20 0.37
CYP11B2 P19099 4/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL30078027 1.00 ERN1 (0.45) ERN1KCNA5CYP19A1KCNN4CYP1A2
SCHEMBL30078075 0.91 ERN1 (0.39) ERN1KCNA5CYP1A2CYP3A4CYP2C19
SCHEMBL15065123 0.91 ERN1 (0.39) ERN1KCNA5CYP1A2CYP3A4CYP2C19
SCHEMBL16047371 0.88 KCNA5 (0.48) ERN1KCNA5CYP1A2CYP3A4CYP2C19
SCHEMBL16047094 0.87 KDM4E (0.41) ERN1KCNA5KDM4EHPGDALDH1A1
SCHEMBL16047047 0.87 KCNA5 (0.43) ERN1KCNA5KCNN4CYP1A2CYP3A4
SCHEMBL16047048 0.86 ERN1 (0.37) ERN1CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL30078030 0.85 ERN1 (0.40) ERN1CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL15065871 0.85 ERN1 (0.40) ERN1CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL15088083 0.84 ERN1 (0.42) ERN1CYP1A2CYP3A4CYP2C19CYP2C9

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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2797597-B1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS INC (US) 2020-02-26 EP claimed
US-20170107199-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS INC (US) 2017-04-20 US claimed
US-20150344483-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. 2015-12-03 US claimed
EP-2797597-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION Global Blood Therapeutics, Inc. (US) 2014-11-05 EP claimed
US-20130190316-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. (US) 2013-07-25 US claimed
WO-2013102145-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. (US) 2013-07-04 WO claimed
US-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2023-10-12 US disclosed
US-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2023-10-12 US disclosed
US-11530191-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2022-12-20 US disclosed
US-11530191-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2022-12-20 US disclosed
EP-3919056-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN Global Blood Therapeutics, Inc. (US) 2021-12-08 EP disclosed
US-10829470-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-11-10 US disclosed
US-10829470-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-11-10 US disclosed
US-20140271591-A1 Compositions and methods for the modulation of hemoglobin (s) GLOBAL BLOOD THERAPEUTICS, INC. (US) 2014-09-18 US disclosed
US-20140271591-A1 Compositions and methods for the modulation of hemoglobin (s) GLOBAL BLOOD THERAPEUTICS, INC. (US) 2014-09-18 US disclosed
US-20130190316-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. (US) 2013-07-25 US disclosed
US-20130190316-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. (US) 2013-07-25 US disclosed
US-20130190316-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. (US) 2013-07-25 US disclosed
WO-2013102145-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. (US) 2013-07-04 WO disclosed
WO-2013102145-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. (US) 2013-07-04 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-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB ERN1 2775/4885KCNA5 4721/4885CYP19A1 1916/4885
US-11530191-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB ERN1 2775/4885KCNA5 4721/4885CYP19A1 1916/4885
US-10829470-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB ERN1 2775/4885KCNA5 4721/4885CYP19A1 1916/4885
US-20150344483-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB ERN1 4304/4885KCNA5 4318/4885CYP19A1 2119/4885
US-20170107199-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB ERN1 4304/4885KCNA5 4318/4885CYP19A1 2119/4885
US-20140271591-A1 Compositions and methods for the modulation of hemoglobin (s) HBB, HBG2, HBG1 ERN1 2958/4885KCNA5 2851/4885CYP19A1 2525/4885
US-20130190316-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB ERN1 4304/4885KCNA5 4318/4885CYP19A1 2119/4885

“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.