SCHEMBL4754130

SCHEMBL4754130

Cc1c(C#N)[c]nc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
GPR3 P46089 2/20 0.33
LRRK2 Q5S007 1/20 0.33
CYP1A2 P05177 3/20 0.32
HTT P42858 1/20 0.32
TSHR P16473 1/20 0.31
PDE10A Q9Y233 1/20 0.31
HPGD P15428 1/20 0.31
NUDT1 P36639 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ATM Q13315 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
BACE1 P56817 1/20 0.30
NCF1 P14598 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
SCHEMBL4754611 0.76 TSHR (0.33) CYP1A2TSHRPDE10A
SCHEMBL4756825 0.75 ALDH1A1 (0.53) ALDH1A1KDM4EGPR3LRRK2CYP1A2
SCHEMBL1986163 0.75 GPR3 (0.39) ALDH1A1KDM4EGPR3CYP1A2HTT
SCHEMBL740449 0.72 KMT2A (0.40) ALDH1A1KDM4EGPR3CYP1A2HTT
SCHEMBL558393 0.69 POLB (0.41) ALDH1A1KDM4EGPR3CYP1A2TSHR
SCHEMBL23942265 0.67 GPR3 (0.48) ALDH1A1KDM4EGPR3LRRK2CYP1A2
SCHEMBL2024861 0.67 ALDH1A1 (0.52) ALDH1A1KDM4EGPR3LRRK2CYP1A2
SCHEMBL3970610 0.66 ALDH1A1 (0.60) ALDH1A1KDM4EGPR3CYP1A2HTT
SCHEMBL3151307 0.66 LRRK2 (0.58) ALDH1A1KDM4EGPR3LRRK2TSHR
SCHEMBL9870551 0.64 GPR3 (0.41) ALDH1A1KDM4EGPR3CYP1A2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210387968-A1 HETEROARYLMETHYLENE DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES INC (US) 2021-12-16 US disclosed
EP-3917627-A1 ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS Ideaya Biosciences, Inc. (US) 2021-12-08 EP disclosed
EP-3917919-A1 HETEROARYLMETHYLENE DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS Ideaya Biosciences, Inc. (US) 2021-12-08 EP disclosed
WO-2020160134-A1 ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2020-08-06 WO disclosed
WO-2020160213-A1 HETEROARYLMETHYLENE DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2020-08-06 WO disclosed
WO-2008154905-A2 MODIFICATIONS OF THE HISTONE DEACETYLASE INHIBITOR SUBEROYLANILIDE HYDROXAMIC ACID SCHEBO BIOTECH AG (DE) 2008-12-24 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 (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-20210387968-A1 HETEROARYLMETHYLENE DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS POLQ, POLH, POLB ALDH1A1 1242/4885KDM4E 3701/4885GPR3 4003/4885

“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.