SCHEMBL6360244

SCHEMBL6360244

Fc1ccc(Nc2nc(Cl)nc3c(Cl)nc(Cl)nc23)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.51
GRM4 Q14833 3/20 0.50
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
EGFR P00533 7/20 0.46
KDR P35968 3/20 0.45
MAPK1 P28482 1/20 0.45
BRAF P15056 1/20 0.44
RAPGEF4 Q8WZA2 1/20 0.43
HPGD P15428 1/20 0.43
GRM1 Q13255 1/20 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
SCHEMBL8488129 0.76 EGFR (0.56) APPGRM4EGFRKDRMAPK1
SCHEMBL28480411 0.76 STK17B (0.54) APPGRM4ABCG2EGFRKDR
SCHEMBL2103491 0.76 SYK (0.54) APPGRM4ABCG2EGFRKDR
SCHEMBL1392126 0.74 APP (0.77) APPGRM4CA12CA1CA2
SCHEMBL20680404 0.74 EGFR (0.52) APPGRM4ABCG2EGFRKDR
SCHEMBL7939006 0.73 MAPT (0.44) ABCG2EGFRKDR
SCHEMBL12813342 0.72 STK17A (0.57) APPGRM4EGFRKDRMAPK1
SCHEMBL19787669 0.72 TRPA1 (0.45) APPGRM4CA12CA1CA2
SCHEMBL2155009 0.71 ABCG2 (0.53) APPABCG2EGFRKDRGRM1
SCHEMBL30270390 0.71 APP (0.55) APPGRM4CA12CA1CA2

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-6849734-B2 Intermediates useful for preparing 4,6-diaminopyrido[5,4-d]pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-01 US disclosed
EP-1383770-B1 METHOD FOR THE PRODUCTION OF 4,6-DIAMINOPYRIMIDO 5,4-D]PYRIMIDINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-09-22 EP disclosed
US-20040059114-A1 Intermediates useful for preparing 4,6-diaminopyrido[5,4-d]pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-25 US disclosed
US-6680384-B2 REACTING TETRACHLOROPYRIMIDO(5,4-D)PYRIMIDINE WITH AMINE COMPOUND; REDUCING TO FORM 4,6-DIAMINOPYRIMIDO(5,4-D)PYRIMIDINE COMPOUND BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-01-20 US disclosed
US-20020198380-A1 Process for preparing 4,6-diaminopyrimido[5,4-d]pyrimidines BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-12-26 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-20020198380-A1 Process for preparing 4,6-diaminopyrimido[5,4-d]pyrimidines DPYD, DUT, DCTD APP 3761/4885GRM4 1400/4885CA12 4146/4885
US-20040059114-A1 Intermediates useful for preparing 4,6-diaminopyrido[5,4-d]pyrimidines DPYD, DCK, DTYMK APP 4398/4885GRM4 2235/4885CA12 4793/4885

“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.