SCHEMBL18292667

SCHEMBL18292667

O=c1c2cn[nH]c2nc(SCc2ccccn2)n1-c1ccc(Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 11/20 0.68
▸ MAPT P10636 4/20 0.68
▸ HTT P42858 3/20 0.68
▸ TDP1 Q9NUW8 2/20 0.68
▸ THRB P10828 1/20 0.59
▸ ALDH1A1 P00352 6/20 0.59
▸ MAPK10 P53779 1/20 0.59
▸ PDE7A Q13946 1/20 0.58
▸ LMNA P02545 6/20 0.55
▸ ALDH1A2 O94788 1/20 0.55
▸ ALDH1A3 P47895 1/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ HPGD P15428 1/20 0.54
▸ TSHR P16473 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.52
▸ PPARG P37231 1/20 0.52
▸ NCOA2 Q15596 1/20 0.52
▸ NCOA1 Q15788 1/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.52

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
SCHEMBL9671578 0.77 PDE7A (0.76) PDE7A
SCHEMBL5442023 0.77 PDE7A (0.65) TP53PDE7AKMT2A
SCHEMBL9670297 0.76 PDE7A (0.78) PDE7A
SCHEMBL9381672 0.75 PDE7A (0.80) MAPTALDH1A1MAPK10PDE7ASMN1; SMN2
SCHEMBL12281147 0.74 ALDH1A1 (1.00) TP53MAPTHTTTDP1THRB
SCHEMBL9671403 0.74 PDE7A (1.00) MAPTALDH1A1PDE7ASMN1; SMN2TSHR
SCHEMBL9672681 0.72 PDE7A (0.85) MAPTALDH1A1PDE7ASMN1; SMN2TSHR
SCHEMBL18292324 0.71 ALDH1A1 (0.73) TP53MAPTHTTTDP1THRB
SCHEMBL19748997 0.71 ALDH1A1 (1.00) TP53MAPTHTTTDP1ALDH1A1
SCHEMBL9672832 0.69 PDE7A (0.80) MAPTALDH1A1PDE7ALMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160354375-A1 CASEIN KINASE 1delta (CK 1delta) INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SUCH AS TAUOPATHIES ELECTROPHORETICS LIMITED (GB) 2016-12-08 — — 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-20160354375-A1 CASEIN KINASE 1delta (CK 1delta) INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SUCH AS TAUOPATHIES CSNK1G1, CSNK1A1, CSNK1D TP53 2263/4885MAPT 20/4885HTT 1101/4885

“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.

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