SCHEMBL23717023

SCHEMBL23717023

COc1cc(C(C)C)cc2cnccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.44
HASPIN Q8TF76 3/20 0.40
CLK1 P49759 3/20 0.39
CLK2 P49760 3/20 0.39
DYRK1A Q13627 3/20 0.39
CLK4 Q9HAZ1 3/20 0.39
CLK3 P49761 2/20 0.39
CDK5 Q00535 2/20 0.39
CDK5R1 Q15078 2/20 0.39
DYRK1B Q9Y463 2/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
NSD2 O96028 1/20 0.37
LMNA P02545 1/20 0.37
BRAF P15056 1/20 0.37
DAPK3 O43293 1/20 0.36
PLK1 P53350 1/20 0.36

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
SCHEMBL23717022 0.87 MAOA (0.55) MAOAALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL12789725 0.78 CYP1A2 (0.40) HASPINCLK1CDK5CDK5R1KDM4E
SCHEMBL23717028 0.78 ALDH1A1 (0.48) ALDH1A1POLBHDAC4HDAC8CYP2C19
SCHEMBL28531631 0.77 MAOA (0.46) MAOAHASPINCLK1CLK2DYRK1A
SCHEMBL10283932 0.76 NQO1 (0.47) CDK5CDK5R1ALDH1A1SMN1; SMN2MAPT
SCHEMBL23717024 0.73 MAOA (0.43) MAOAALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL801807 0.73 HIPK2 (0.45) HASPINLMNACYP1A2PRKCBPRKCA
SCHEMBL12426316 0.73 MAOA (0.52) MAOAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL24345378 0.72 FGFR2 (0.39) ALDH1A1SMN1; SMN2POLBKDM4EMAPT
SCHEMBL26830587 0.72 RXFP1 (0.42) SMN1; SMN2POLBLMNAHDAC4HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARM INC (US) 2023-04-27 US disclosed
US-20230108803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. 2023-04-06 US disclosed
US-11420976-B2 Heterocyclic compounds as anti-viral agents ENANTA PHARMACEUTICALS, INC. (US) 2022-08-23 US disclosed
US-20220119398-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2022-04-21 US disclosed
US-20210238188-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2021-08-05 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 (5 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-20210238188-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS VIP, ACE, FURIN MAOA 2105/4885HASPIN 639/4885CLK1 4832/4885
US-20220119398-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS VIP, ACE, FURIN MAOA 2105/4885HASPIN 639/4885CLK1 4832/4885
US-11420976-B2 Heterocyclic compounds as anti-viral agents VIP, ACE, FURIN MAOA 2105/4885HASPIN 639/4885CLK1 4832/4885
US-20230108803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ACE, HPRT1, ACE2 MAOA 1573/4885HASPIN 378/4885CLK1 4741/4885
US-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ACE, HPRT1, ACE2 MAOA 1573/4885HASPIN 378/4885CLK1 4741/4885

“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.