SCHEMBL5534904

SCHEMBL5534904

Cn1c(=O)c(-c2ccccc2)nc2cnc(Nc3ccc(N4CCOCC4)cc3)nc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 15/20 0.74
CASP7 P55210 11/20 0.74
CASP1 P29466 10/20 0.74
USP2 O75604 9/20 0.74
HIF1A Q16665 7/20 0.74
CYP2C19 P33261 3/20 0.74
MEN1 O00255 3/20 0.74
KMT2A Q03164 3/20 0.74
ALDH1A1 P00352 11/20 0.71
CYP3A4 P08684 6/20 0.71
HSD17B10 Q99714 6/20 0.71
CYP2C9 P11712 6/20 0.71
GLA P06280 5/20 0.71
MAPK1 P28482 2/20 0.61
LMNA P02545 1/20 0.60
PDGFRB P09619 1/20 0.59
SLC2A1 P11166 1/20 0.59
FGFR1 P11362 1/20 0.59
SRC P12931 1/20 0.59
PDGFRA P16234 1/20 0.59

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
SCHEMBL5523042 0.85 SRC (0.74) CYP1A2CASP7CASP1USP2HIF1A
SCHEMBL5520408 0.83 FGFR1 (0.64) CYP1A2CASP7CASP1USP2HIF1A
SCHEMBL5516295 0.83 FGFR1 (0.56) CYP1A2CASP7CASP1USP2HIF1A
SCHEMBL7689910 0.81 USP2 (0.81) CYP1A2CASP7CASP1USP2HIF1A
SCHEMBL5523958 0.81 FGFR1 (0.58) CYP1A2CASP7CASP1USP2HIF1A
SCHEMBL5511668 0.81 SRC (0.62) CYP1A2CASP7CASP1USP2HIF1A
SCHEMBL5633975 0.79 FGFR1 (0.60) CYP1A2CASP7CASP1USP2HIF1A
SCHEMBL30227106 0.77 CDK4 (0.75) PDGFRBSLC2A1FGFR1SRCPDGFRA
SCHEMBL5520442 0.76 CYP1A2 (0.70) CYP1A2CASP7CASP1USP2HIF1A
SCHEMBL5520426 0.74 RIPK2 (0.73) CYP1A2CASP7CASP1USP2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169778-B2 Pteridinones as kinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-30 US claimed
EP-1409487-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-04-21 EP claimed
US-20030130286-A1 Pteridinones as kinase inhibitors DENNY WILLIAM ALEXANDER (NZ) 2003-07-10 US claimed
WO-2001019825-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-03-22 WO claimed
US-20070049600-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY 2007-03-01 US disclosed
US-20070049600-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY 2007-03-01 US disclosed
US-20070049600-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY 2007-03-01 US disclosed
US-7169778-B2 Pteridinones as kinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-30 US disclosed
US-7169778-B2 Pteridinones as kinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-30 US disclosed
US-20030130286-A1 Pteridinones as kinase inhibitors DENNY WILLIAM ALEXANDER (NZ) 2003-07-10 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-20030130286-A1 Pteridinones as kinase inhibitors CCNI, CCNK, CDK2 CYP1A2 1680/4885CASP7 1044/4885CASP1 3610/4885
US-20070049600-A1 PTERIDINONES AS KINASE INHIBITORS CCNI, CCNK, CDK2 CYP1A2 2294/4885CASP7 1385/4885CASP1 3761/4885

“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.