SCHEMBL559328

SCHEMBL559328

COc1ccnc(NC(=O)c2ccc3cnc(N[C@H]4CC[C@H](O)CC4)nc3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.48
CDK2 P24941 6/20 0.47
CCNA2 P20248 4/20 0.47
CDK7 P50613 4/20 0.47
CCNH P51946 4/20 0.47
MNAT1 P51948 4/20 0.47
CCNK O75909 3/20 0.47
CDK12 Q9NYV4 3/20 0.47
NOS1 P29475 4/20 0.46
NOS2 P35228 4/20 0.46
NOS3 P29474 2/20 0.46
RPS6KA2 Q15349 1/20 0.45
CSNK2A1 P68400 1/20 0.44
MAPK1 P28482 4/20 0.43
CCNE1 P24864 2/20 0.43
AXL P30530 2/20 0.42
FLT3 P36888 2/20 0.42
TYRO3 Q06418 2/20 0.42
MERTK Q12866 2/20 0.42
GAS6 Q14393 2/20 0.42

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
SCHEMBL2259374 1.00 HPGDS (0.48) HPGDSCDK2CCNA2CDK7CCNH
SCHEMBL558885 0.84 SMN1; SMN2 (0.48) CDK2CCNE1AXLFLT3TYRO3
SCHEMBL2255142 0.84 SMN1; SMN2 (0.48) CDK2CCNE1AXLFLT3TYRO3
SCHEMBL559367 0.81 SYK (0.46) CDK2CCNA2CDK7CCNHMNAT1
SCHEMBL558852 0.81 HPGDS (0.56) HPGDSCDK2CCNA2CDK7CCNH
SCHEMBL558853 0.81 HPGDS (0.56) HPGDSCDK2CCNA2CDK7CCNH
SCHEMBL2257519 0.81 MEN1 (0.49) CDK2CCNA2CDK7CCNHMNAT1
SCHEMBL559474 0.81 MEN1 (0.49) CDK2CCNA2CDK7CCNHMNAT1
SCHEMBL559575 0.80 NPC1 (0.53) CDK2MAPK1CCNE1
SCHEMBL2259332 0.80 NPC1 (0.53) CDK2MAPK1CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 HPGDS 1716/4885CDK2 125/4885CCNA2 629/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 HPGDS 1716/4885CDK2 125/4885CCNA2 629/4885

“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.