SCHEMBL1019775

SCHEMBL1019775

CCC(N)CNc1nc(Cc2ccc(F)c(C)c2)ns1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 8/20 0.38
CDK2 P24941 7/20 0.38
MPO P05164 1/20 0.35
BCDIN3D Q7Z5W3 2/20 0.32
PRKCI P41743 2/20 0.32
MMP13 P45452 1/20 0.31

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
SCHEMBL1021370 0.92 CDK2 (0.35) AKT1CDK2MPOMMP13
SCHEMBL1021963 0.89 HRH3 (0.36) MPO
SCHEMBL1020396 0.89 MPO (0.36) AKT1CDK2MPOBCDIN3DPRKCI
SCHEMBL1021490 0.85 AKT1 (0.38) AKT1CDK2PRKCI
SCHEMBL1021453 0.83 NPC1 (0.33) AKT1CDK2BCDIN3DPRKCI
SCHEMBL1021873 0.83 AKT1 (0.43) AKT1CDK2MPO
SCHEMBL1020734 0.82 CDK2 (0.39) AKT1CDK2BCDIN3DPRKCI
SCHEMBL1021540 0.82 MPO (0.38) MPOBCDIN3DPRKCIMMP13
SCHEMBL1020409 0.82 MPO (0.35) MPOMMP13
SCHEMBL1019639 0.82 ALDH1A1 (0.39) AKT1CDK2PRKCI

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 1028/4885MPO 3448/4885

“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.