SCHEMBL20568571

SCHEMBL20568571

Cc1cc(C)n(-c2nc(Nc3ccc(F)cc3)c3ncccc3n2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.56
KCNN3 Q9UGI6 2/20 0.50
KCNN2 Q9H2S1 1/20 0.50
BCL6 P41182 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 3/20 0.45
USP2 O75604 1/20 0.45
ALOX15 P16050 1/20 0.45
PTPN7 P35236 1/20 0.45
CREBBP Q92793 1/20 0.45
TP53 P04637 1/20 0.44
MAPT P10636 5/20 0.43
GRM4 Q14833 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL183069 0.78 KCNN3 (0.80) POLBKCNN3KCNN2BCL6TDP1
SCHEMBL22872865 0.76 KCNN2 (0.56) KCNN3KCNN2KDM4EALDH1A1MAPT
SCHEMBL4908142 0.76 TDP1 (0.64) POLBBCL6KDM4EALDH1A1TDP1
SCHEMBL4907560 0.75 KDM4E (0.64) POLBBCL6KDM4EALDH1A1TDP1
SCHEMBL4915954 0.75 NPSR1 (0.46) POLBKCNN3KCNN2KDM4ETDP1
SCHEMBL4914786 0.74 TDP1 (0.55) POLBBCL6KDM4EALDH1A1TDP1
SCHEMBL3591520 0.74 KCNN3 (0.58) POLBKCNN3KCNN2BCL6TDP1
SCHEMBL4913824 0.74 BCL6 (0.62) POLBKCNN3KCNN2BCL6KDM4E
SCHEMBL4908834 0.74 TDP1 (0.54) POLBBCL6KDM4EALDH1A1TDP1
SCHEMBL4908031 0.74 HTR2A (0.57) POLBKCNN3KCNN2BCL6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3630759-B1 COMPOUNDS USEFUL AS ION CHANNEL INHIBITORS FOR THE TREATMENT OF CANCER CENTRE NAT RECH SCIENT (FR) 2024-05-01 EP disclosed
US-20210009581-A1 ION CHANNEL INHIBITOR COMPOUNDS FOR CANCER TREATMENT CHU NANTES (FR) 2021-01-14 US disclosed
EP-3630759-A1 ION CHANNEL INHIBITOR COMPOUNDS FOR CANCER TREATMENT Centre National De La Recherche Scientifique (FR) 2020-04-08 EP disclosed
WO-2018215557-A1 ION CHANNEL INHIBITOR COMPOUNDS FOR CANCER TREATMENT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-11-29 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-20210009581-A1 ION CHANNEL INHIBITOR COMPOUNDS FOR CANCER TREATMENT CACNA1E, KCNA1, KCNT1 POLB 4088/4885KCNN3 35/4885KCNN2 19/4885

“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.