SCHEMBL12440976

SCHEMBL12440976

Cc1cccc2c(=O)[nH]cc(C)c12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.49
CYP1A2 P05177 2/20 0.41
CYP2A6 P11509 1/20 0.41
ATM Q13315 1/20 0.41
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
KDM4E B2RXH2 1/20 0.40
BRPF1 P55201 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
CHEK1 O14757 1/20 0.38
ATAD2 Q6PL18 1/20 0.38
TYMS P04818 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
SCHEMBL12286658 0.84 PARP1 (0.49) PARP1CYP1A2CYP2A6ATMTRIM24
SCHEMBL29613182 0.83 PARP1 (0.45) PARP1CYP1A2CYP2A6TRIM24TRIM33
SCHEMBL12439850 0.83 PARP1 (0.45) PARP1CYP1A2CYP2A6TRIM24TRIM33
SCHEMBL4915683 0.83 ALDH1A1 (0.55) PARP1ATMKDM4ETYMS
SCHEMBL7579692 0.83 PARP1 (0.45) PARP1CYP1A2CYP2A6TRIM24TRIM33
SCHEMBL31410052 0.83 PARP1 (0.45) PARP1CYP1A2CYP2A6ATMKDM4E
SCHEMBL31410037 0.83 PARP1 (0.45) PARP1CYP1A2CYP2A6ATMKDM4E
SCHEMBL555326 0.77 ATM (0.56) PARP1CYP1A2CYP2A6ATMKDM4E
SCHEMBL29914735 0.77 ATM (0.56) PARP1CYP1A2CYP2A6ATMKDM4E
SCHEMBL12439370 0.76 CYP1A2 (0.41) PARP1CYP1A2CYP2A6ATMTRIM24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3265453-B1 NEW PYRIDINONES AND ISOQUINOLINONES AS INHIBITORS OF THE BROMODOMAIN BRD9 BOEHRINGER INGELHEIM INT (DE) 2022-06-29 EP disclosed
EP-1830853-B1 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES NOVARTIS AG (CH) 2011-08-10 EP disclosed
US-20100216777-A1 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES AND CONDITIONS ALCON, INC. (CH) 2010-08-26 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 (1 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-20100216777-A1 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES AND CONDITIONS ROCK2, ROCK1, RHOA PARP1 2643/4885CYP1A2 2626/4885CYP2A6 3953/4885

“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.