SCHEMBL19251597

SCHEMBL19251597

CC(C)Cc1cnc2cccnc2c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OGA O60502 3/20 0.39
GCK P35557 1/20 0.39
PDE10A Q9Y233 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.35
NTRK1 P04629 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
ALOX5AP P20292 2/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 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
SCHEMBL30893589 0.80 NOS3 (0.41) OGAKDM4EALDH1A1
SCHEMBL10282500 0.80 NOS3 (0.41) OGAKDM4EALDH1A1
SCHEMBL5018922 0.78 GABRA1 (0.44) OGAMAPK1KDM4EALDH1A1TP53
SCHEMBL2231397 0.78 KDM4E (0.40) GCKMAPK1KDM4E
SCHEMBL826949 0.77 PDE10A (0.55) PDE10AMMP2MMP9MMP8
SCHEMBL27499514 0.77 ALDH1A1 (0.39) OGAPDE10AKDM4ENTRK1ALDH1A1
SCHEMBL9385487 0.77 ALDH1A1 (0.39) OGAPDE10AKDM4EALDH1A1
SCHEMBL3970945 0.77 ALDH1A1 (0.39) OGAPDE10AKDM4EALDH1A1TP53
SCHEMBL24176501 0.76 OGA (0.41) OGAKDM4EALDH1A1TP53
SCHEMBL13034790 0.76 ALDH1A1 (0.53) OGAPDE10AMAPK1ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807636-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-11-07 US disclosed
US-20220125786-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS INC (US) 2022-04-28 US disclosed
US-11168079-B2 Alkene compounds as farnesoid x receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2021-11-09 US disclosed
US-20210290619-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. 2021-09-23 US disclosed
US-10822326-B2 Substituted heteroaryl aldehyde compounds and methods for their use in increasing tissue oxygenation GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-11-03 US disclosed
US-10806733-B2 Substituted benzaldehyde compounds and methods for their use in increasing tissue oxygenation GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-10-20 US disclosed
US-20200283430-A1 ALKENE COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2020-09-10 US disclosed
US-20200190058-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. 2020-06-18 US disclosed
US-20190160060-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. 2019-05-30 US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 US disclosed
US-7893020-B2 can be coadministered with antimicrobial agents for treatment of infections caused by drug resistant bacteria; 2-Amino-N-{4-Amino-1-[-3-phenyl-1-(R)-(quinolin-3-ylcarbomoyl)-propylcarbamoyl]-butyl}succinamic acid; 2,5-Diamino-pentanoic acid [3-phenyl-1-(R)-(4-phenyl-thiazol-2-ylcarbamoyl)-propyl]-amide MPEX PHARMACEUTICALS, INC. (US) 2011-02-22 US disclosed
US-7879795-B2 can be coadministered with antimicrobial agents for treatment of infections caused by drug resistant bacteria; 2-Amino-N-{4-Amino-1-[-3-phenyl-1-(R)-(quinolin-3-ylcarbomoyl)-propylcarbamoyl]-butyl}succinamic acid; 2,5-Diamino-pentanoic acid [3-phenyl-1-(R)-(4-phenyl-thiazol-2-ylcarbamoyl)-propyl]-amide MPEX PHARMACEUTICALS, INC. (US) 2011-02-01 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 (9 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-10806733-B2 Substituted benzaldehyde compounds and methods for their use in increasing tissue oxygenation HBB, HBG2, MB OGA 30/4885GCK 341/4885PDE10A 970/4885
US-20200190058-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB OGA 66/4885GCK 422/4885PDE10A 2433/4885
US-20220125786-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB OGA 30/4885GCK 341/4885PDE10A 970/4885
US-10822326-B2 Substituted heteroaryl aldehyde compounds and methods for their use in increasing tissue oxygenation HBB, HBG2, MB OGA 66/4885GCK 422/4885PDE10A 2433/4885
US-11807636-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 OGA 839/4885GCK 2973/4885PDE10A 3554/4885
US-20210290619-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB OGA 30/4885GCK 341/4885PDE10A 970/4885
US-11168079-B2 Alkene compounds as farnesoid x receptor modulators FXR1, NR1H2, NR1H4 OGA 3543/4885GCK 1686/4885PDE10A 1694/4885
US-20200283430-A1 ALKENE COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H2, NR1H4 OGA 3543/4885GCK 1686/4885PDE10A 1694/4885
US-20190160060-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB OGA 30/4885GCK 341/4885PDE10A 970/4885

“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.