SCHEMBL15065525

SCHEMBL15065525

Cc1ccc(OCc2cccnc2-c2ccnn2C(C)C)c(C=O)n1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2C8 P10632 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
SYK P43405 2/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
GCK P35557 1/20 0.32
SGMS2 Q8NHU3 2/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL30077981 0.89 CYP1A2 (0.73) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL15068410 0.89 CYP1A2 (0.73) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL18995851 0.85 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL18995862 0.83 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL23996869 0.83 CYP1A2 (0.88) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL16072985 0.82 CYP1A2 (0.72) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL20192043 0.82 CYP1A2 (0.75) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL16034124 0.82 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL18837924 0.81 CYP1A2 (0.71) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL16078290 0.81 CYP1A2 (0.77) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19

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 72 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
US-9012450-B2 Substituted heteroaryl aldehyde compounds and methods for their use in increasing tissue oxygenation GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-04-21 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-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 CYP1A2 760/4885CYP3A4 341/4885CYP2C8 396/4885
US-11530191-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB CYP1A2 760/4885CYP3A4 341/4885CYP2C8 396/4885
US-10829470-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB CYP1A2 760/4885CYP3A4 341/4885CYP2C8 396/4885
US-20150344483-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB CYP1A2 229/4885CYP3A4 106/4885CYP2C8 83/4885
US-20170107199-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB CYP1A2 229/4885CYP3A4 106/4885CYP2C8 83/4885
US-20140271591-A1 Compositions and methods for the modulation of hemoglobin (s) HBB, HBG2, HBG1 CYP1A2 598/4885CYP3A4 309/4885CYP2C8 539/4885
US-20130190316-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB CYP1A2 229/4885CYP3A4 106/4885CYP2C8 83/4885

“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.