SCHEMBL15083751

SCHEMBL15083751

Cc1nnc2[nH]c(=O)c3ccccc3n12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.47
CYP1A2 P05177 2/20 0.47
HPGD P15428 5/20 0.43
CYP2C9 P11712 1/20 0.43
LCK P06239 1/20 0.41
PRKACA P17612 1/20 0.41
CSNK2A2 P19784 1/20 0.41
PRKACG P22612 1/20 0.41
PRKACB P22694 1/20 0.41
GSK3B P49841 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
DYRK1A Q13627 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
CHEK1 O14757 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
PBRM1 Q86U86 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 6/20 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
SCHEMBL17297888 0.80 PARP1 (0.41) PARP1CYP1A2HPGDCYP2C9LCK
SCHEMBL20100768 0.80 RPA1 (0.43) PARP1CYP1A2HPGDLCKPRKACA
SCHEMBL16695803 0.74 PARP1 (0.54) PARP1CYP1A2HPGDCYP2C9LCK
SCHEMBL6858242 0.74 HPGD (0.41) PARP1CYP1A2HPGDCYP2C9LCK
SCHEMBL15130975 0.73 LCK (0.41) PARP1CYP1A2HPGDCYP2C9LCK
SCHEMBL15180301 0.72 RPA1 (0.57) PARP1HPGDTNKS2SMN1; SMN2KDM4E
SCHEMBL30935867 0.72 RPA1 (0.57) PARP1HPGDTNKS2SMN1; SMN2KDM4E
SCHEMBL29994664 0.72 ALDH1A1 (0.46) PARP1L3MBTL1ALDH1A1HIF1AGAA
SCHEMBL22045220 0.71 LCK (0.55) PARP1CYP1A2HPGDCYP2C9LCK
SCHEMBL30961044 0.71 NPC1 (0.39) PARP1CYP1A2HPGDCYP2C9LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4289813-A2 INTERMEDIATES TO OBTAIN SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION Global Blood Therapeutics, Inc. (US) 2023-12-13 EP disclosed
EP-3738434-A1 INTERMEDIATES TO OBTAIN SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION Global Blood Therapeutics, Inc. (US) 2020-11-18 EP disclosed
EP-3141542-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION Global Blood Therapeutics, Inc. (US) 2017-03-15 EP disclosed
US-20160206614-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. 2016-07-21 US disclosed
US-20150344472-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. 2015-12-03 US disclosed
US-9018210-B2 Substituted benzaldehyde compounds and methods for their use in increasing tissue oxygenation GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-04-28 US disclosed
US-20130190315-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. (US) 2013-07-25 US disclosed
WO-2013102142-A1 SUBSTITUTED BENZALDEHYDE 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 (3 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-20150344472-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB PARP1 3787/4885CYP1A2 447/4885HPGD 202/4885
US-20160206614-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB PARP1 3787/4885CYP1A2 447/4885HPGD 202/4885
US-20130190315-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB PARP1 3787/4885CYP1A2 447/4885HPGD 202/4885

“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.