SCHEMBL3501106

SCHEMBL3501106

NC(=O)n1nc(-c2ccccc2)c2s[c]nc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
PARP1 P09874 2/20 0.34
GAA P10253 3/20 0.33
LMNA P02545 2/20 0.33
PTGS2 P35354 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 2/20 0.33
RORC P51449 1/20 0.33
F2 P00734 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CSF1R P07333 1/20 0.33
FGFR1 P11362 1/20 0.33
FLT1 P17948 1/20 0.33
KDR P35968 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CDK8 P49336 1/20 0.33

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
SCHEMBL4752791 0.75
SCHEMBL5578043 0.74
SCHEMBL13502540 0.67 ALOX15 (0.59) KDM4EALDH1A1GAALMNARAB9A
SCHEMBL3277191 0.63 KDM4E (0.46) KDM4EALDH1A1GAALMNANPC1
SCHEMBL9107638 0.63 NR1H2 (0.38) KDM4EALDH1A1PARP1GAALMNA
SCHEMBL4714210 0.61 ALDH1A1 (0.40) POLBKDM4EALDH1A1GAALMNA
SCHEMBL330380 0.61 SMN1; SMN2 (0.46) POLBKDM4EALDH1A1GAALMNA
SCHEMBL6631083 0.60 POLB (0.41) POLBKDM4EALDH1A1GAALMNA
SCHEMBL329727 0.60 ADORA3 (0.49) KDM4EALDH1A1GAALMNANPC1
SCHEMBL330292 0.60 PTGDR2 (0.55) POLBKDM4EALDH1A1GAACYP1A2

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 POLB 3322/4885KDM4E 1403/4885ALDH1A1 4737/4885
US-20050176786-A1 Bicyclic pyrazolo protein kinase modulators MAP3K20, MAP4K2, MAP4K3 POLB 3322/4885KDM4E 1403/4885ALDH1A1 4737/4885

“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.