SCHEMBL3500615

SCHEMBL3500615

CC(C)(C)c1n[nH]c2nc(C(N)=O)sc12

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
HPGD P15428 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
SCHEMBL4752790 0.77 ILK (0.32)
SCHEMBL5578040 0.76 DYRK1A (0.32)
SCHEMBL3500620 0.75 RPS6KA3 (0.41) ALDH1A1HPGD
SCHEMBL2678404 0.69 ALDH1A1 (0.38) ALDH1A1HPGD
SCHEMBL3501102 0.69 CYP1A2 (0.43) ALDH1A1HPGD
SCHEMBL16751984 0.68 ALDH1A1 (0.42) ALDH1A1HPGD
SCHEMBL13256288 0.68 NPC1 (0.52) ALDH1A1HPGD
SCHEMBL3501617 0.65 GRM2 (0.38) ALDH1A1HPGD
SCHEMBL3498258 0.65 LRRK2 (0.40) ALDH1A1
SCHEMBL9108114 0.65 GAA (0.41) ALDH1A1HPGD

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-20100179190-A1 BICYCLIC PYRAZOLO PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
US-7473783-B2 Bicyclic pyrazolo protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-01-06 US disclosed
US-20050176786-A1 Bicyclic pyrazolo protein kinase modulators STRUCTURAL GENOMIX (US) 2005-08-11 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 (2 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-20100179190-A1 BICYCLIC PYRAZOLO PROTEIN KINASE MODULATORS MAP3K20, MAP4K2, MAP4K3 ALDH1A1 4737/4885HPGD 2895/4885
US-20050176786-A1 Bicyclic pyrazolo protein kinase modulators MAP3K20, MAP4K2, MAP4K3 ALDH1A1 4737/4885HPGD 2895/4885

“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.