SCHEMBL1021490

SCHEMBL1021490

CCC(N)CNc1nc(Cc2ccc(F)cc2)ns1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.38
CDK2 P24941 2/20 0.38
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTR6 P50406 2/20 0.34
PRKCI P41743 3/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
ADRA1D P25100 1/20 0.31
HTR2C P28335 1/20 0.31
HTR7 P34969 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
SYK P43405 1/20 0.31
MAPK1 P28482 1/20 0.30
NPC1 O15118 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
SCHEMBL1019378 0.90 CDK2 (0.37) AKT1CDK2ALDH1A1KDM4EHTR6
SCHEMBL1021453 0.89 NPC1 (0.33) AKT1CDK2ALDH1A1HTR6PRKCI
SCHEMBL1020246 0.88 HRH3 (0.39) AKT1CDK2ALDH1A1KDM4EHTR6
SCHEMBL1020734 0.88 CDK2 (0.39) AKT1CDK2KDM4EHTR6PRKCI
SCHEMBL1019826 0.87 ALDH1A1 (0.37) AKT1CDK2ALDH1A1KDM4EHTR6
SCHEMBL1021873 0.86 AKT1 (0.43) AKT1CDK2ALDH1A1HTR6TLR8
SCHEMBL1021254 0.85 LMNA (0.40) ALDH1A1HTR6PRKCIMAPTSMN1; SMN2
SCHEMBL1019775 0.85 AKT1 (0.38) AKT1CDK2PRKCI
SCHEMBL1021228 0.81 CDK2 (0.42) AKT1CDK2ALDH1A1HTR6PRKCI
SCHEMBL1021021 0.80 ALDH1A1 (0.36) AKT1CDK2ALDH1A1KDM4EHTR6

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
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
EP-2094677-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES REMYND NV (BE) 2011-01-12 EP disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 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-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES SNCA, PARK7, PRNP AKT1 2606/4885CDK2 1028/4885ALDH1A1 608/4885

“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.