SCHEMBL4415141

SCHEMBL4415141

CSc1ncc2cc(-c3ccccc3Br)c(C(N)=O)nc2n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 14/20 0.45
AKT2 P31751 14/20 0.45
GRM2 Q14416 1/20 0.40
FGFR1 P11362 2/20 0.36
PDGFRB P09619 1/20 0.36
SRC P12931 1/20 0.36
PDGFRA P16234 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35

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
SCHEMBL4416906 0.89 AKT1 (0.43) AKT1AKT2SMN1; SMN2
SCHEMBL4422230 0.79 PTK2 (0.44) GRM2FGFR1PDGFRBSRCPDGFRA
SCHEMBL4418885 0.79 AKT1 (0.37) AKT1AKT2FGFR1KDM4E
SCHEMBL3870552 0.76 AKT1 (0.44) AKT1AKT2FGFR1PDGFRBSRC
SCHEMBL3867128 0.73 RXFP1 (0.44) AKT1AKT2
SCHEMBL4423148 0.73 RIPK2 (0.49) AKT2FGFR1PDGFRBSRCCDK2
SCHEMBL4413304 0.73 IKBKB (0.49) CDK2
SCHEMBL4422231 0.72 AKT1 (0.36) AKT1AKT2
SCHEMBL4414517 0.70 MEN1 (0.40) AKT1AKT2MAPT
SCHEMBL4420761 0.69 PKMYT1 (0.40) FGFR1PDGFRBSRCPDGFRACDK2

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
EP-1615921-B1 PYRIDO 2,3-D PYRIMIDIN-7-CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2009-03-18 EP disclosed
US-7163941-B2 Pyrido[2,3-d]pyrimidin-7-carboxylic acid derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-01-16 US disclosed
EP-1615921-A2 PYRIDO 2,3-D PYRIMIDIN-7-CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-01-18 EP disclosed
US-20050130984-A1 Pyrido[2,3-d]pyrimidin-7-carboxylic acid derivatives, their manufacture and use as pharmaceutical agents F. HOFFMANN-LA ROCHE AG (DE) 2005-06-16 US disclosed
WO-2004085436-A2 PYRIDO[2,3-D]PYRIMIDIN-7-CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-07 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 (1 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-20050130984-A1 Pyrido[2,3-d]pyrimidin-7-carboxylic acid derivatives, their manufacture and use as pharmaceutical agents LCK, TYRO3, ABL1 AKT1 540/4885AKT2 593/4885GRM2 2138/4885

“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.