SCHEMBL3500620

SCHEMBL3500620

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.41
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL14454806 0.75 RPS6KA3 (0.44) RPS6KA3ALDH1A1HPGDGAAMAPT
SCHEMBL4752792 0.74 RPS6KA3 (0.47) RPS6KA3GAAMAPTMAPK1HSD17B10
SCHEMBL5578045 0.71 RPS6KA3 (0.44) RPS6KA3GAAMAPTMAPK1HSD17B10
SCHEMBL14454801 0.67 RPS6KA3 (0.41) RPS6KA3
SCHEMBL3499091 0.63 ALDH1A1 (0.50) ALDH1A1HPGDGAAMAPTMAPK1
SCHEMBL18548474 0.63 RPS6KA3 (0.41) RPS6KA3ALDH1A1GAAMAPTMAPK1
SCHEMBL24417705 0.63 ALDH1A1 (0.43) ALDH1A1HPGDGAAMAPTMAPK1
SCHEMBL2678408 0.63 NOS1 (0.52) ALDH1A1HPGDGAAMAPTMAPK1
SCHEMBL19486516 0.63 ALDH1A1 (0.43) ALDH1A1HPGDGAAMAPTMAPK1
SCHEMBL3499093 0.62 MYC (0.49) RPS6KA3GAAMAPK1

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 RPS6KA3 195/4885ALDH1A1 4737/4885HPGD 2895/4885
US-20050176786-A1 Bicyclic pyrazolo protein kinase modulators MAP3K20, MAP4K2, MAP4K3 RPS6KA3 195/4885ALDH1A1 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.