Sugi Predict

Sugi Predict / Compounds / SCHEMBL4472037

SCHEMBL4472037

SCHEMBL4472037

CN1C(=O)N(c2cc(NC(=O)C=Cc3ccccn3)ccc2Cl)Cc2cnc(N)nc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BMX P51813 11/20 0.51
▸ TNK2 Q07912 7/20 0.51
▸ MAP4K2 Q12851 7/20 0.51
▸ ABL1 P00519 3/20 0.51
▸ LCK P06239 1/20 0.51
▸ FES P07332 1/20 0.51
▸ RET P07949 1/20 0.51
▸ PDGFRB P09619 1/20 0.51
▸ KIT P10721 1/20 0.51
▸ FGFR1 P11362 1/20 0.51
▸ SRC P12931 1/20 0.51
▸ PDGFRA P16234 1/20 0.51
▸ FLT1 P17948 1/20 0.51
▸ FGFR3 P22607 1/20 0.51
▸ EPHA3 P29320 1/20 0.51
▸ KDR P35968 1/20 0.51
▸ EPHB4 P54760 1/20 0.51
▸ TEK Q02763 1/20 0.51
▸ KARS1 Q15046 1/20 0.51
▸ NTRK3 Q16288 1/20 0.51

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
SCHEMBL4472031 1.00 BMX (0.51) BMXTNK2MAP4K2ABL1LCK
SCHEMBL4484318 0.90 BMX (0.52) BMXTNK2MAP4K2ABL1LCK
SCHEMBL4484314 0.90 BMX (0.52) BMXTNK2MAP4K2ABL1LCK
SCHEMBL4463361 0.83 TNK2 (0.51) BMXTNK2MAP4K2ABL1LCK
SCHEMBL4475696 0.82 TNK2 (0.59) BMXTNK2MAP4K2ABL1LCK
SCHEMBL4467325 0.80 TNK2 (0.61) BMXTNK2MAP4K2ABL1LCK
SCHEMBL4477587 0.79 TNK2 (0.58) BMXTNK2MAP4K2ABL1LCK
SCHEMBL4479639 0.79 TNK2 (0.52) BMXTNK2MAP4K2ABL1LCK
SCHEMBL4487645 0.78 TNK2 (0.65) BMXTNK2MAP4K2ABL1LCK
SCHEMBL4478124 0.78 TNK2 (0.55) BMXTNK2MAP4K2ABL1LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7494993-B2 Amide derivatives of 7-amino-3-phenyl-dihydropyrimido[4,5-d]pyrimidinones, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2009-02-24 — — US claimed
US-20080032970-A1 Amide Derivatives of 7-Amino-3-Phenyl-Dihydropyrimido[4,5-D]Pyrimidinones, Their Manufacture and Use as Pharmaceutical Agents HOFFMANN-LA ROCHE INC. 2008-02-07 — — US claimed
US-7494993-B2 Amide derivatives of 7-amino-3-phenyl-dihydropyrimido[4,5-d]pyrimidinones, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2009-02-24 — — US disclosed
US-20080032970-A1 Amide Derivatives of 7-Amino-3-Phenyl-Dihydropyrimido[4,5-D]Pyrimidinones, Their Manufacture and Use as Pharmaceutical Agents HOFFMANN-LA ROCHE INC. 2008-02-07 — — 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 (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-20080032970-A1 Amide Derivatives of 7-Amino-3-Phenyl-Dihydropyrimido[4,5-D]Pyrimidinones, Their Manufacture and Use as Pharmaceutical Agents DPYD, GART, DDC BMX 3166/4885TNK2 2117/4885MAP4K2 964/4885

“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.