SCHEMBL3501889

SCHEMBL3501889

NC(=O)n1nc(-c2ccc(O)cc2)c2s[c]nc21

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 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
SCHEMBL3501106 0.89 POLB (0.36) CCNE1CDK2ALDH1A1MEN1KMT2A
SCHEMBL4752791 0.73
SCHEMBL5578043 0.72
SCHEMBL13502540 0.56 ALOX15 (0.59) ALDH1A1MEN1KMT2A
SCHEMBL10515566 0.54 LTA4H (0.46) ESR1ESR2ALDH1A1MEN1KMT2A
SCHEMBL9159542 0.53 MEN1 (0.62) ESR1ESR2ALDH1A1MEN1KMT2A
SCHEMBL21156724 0.53 KMT2A (0.51) ESR1ALDH1A1MEN1KMT2A
Hydroquinone SCHEMBL9578965 0.53 CA2 (0.58) ESR1ESR2ALDH1A1MEN1KMT2A
Hydroquinone SCHEMBL8749725 0.53 CA2 (0.57) ESR1ESR2ALDH1A1MEN1KMT2A
Hydroquinone SCHEMBL10535422 0.53 CA2 (0.58) ESR1ESR2ALDH1A1MEN1KMT2A

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 5 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
EP-1713814-A1 BICYCLIC PYRAZOLO-FUSED COMPOUNDS AS PROTEIN KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2006-10-25 EP disclosed
US-20050176786-A1 Bicyclic pyrazolo protein kinase modulators STRUCTURAL GENOMIX (US) 2005-08-11 US disclosed
WO-2005068473-A1 BICYCLIC PYRAZOLO-FUSED COMPOUNDS AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2005-07-28 WO 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 CCNE2 3086/4885CCNE1 1947/4885CDK2 110/4885
US-20050176786-A1 Bicyclic pyrazolo protein kinase modulators MAP3K20, MAP4K2, MAP4K3 CCNE2 3086/4885CCNE1 1947/4885CDK2 110/4885

“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.