SCHEMBL5405551

SCHEMBL5405551

CNc1nc(Nc2ccc3c(c2)CCC3)ncc1N

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ STK17A Q9UEE5 4/20 0.55
▸ STK17B O94768 3/20 0.55
▸ EGFR P00533 5/20 0.52
▸ IGF1R P08069 1/20 0.47
▸ SYK P43405 1/20 0.46
▸ RAPGEF4 Q8WZA2 1/20 0.42
▸ CDK5 Q00535 3/20 0.41
▸ CDK5R1 Q15078 3/20 0.41
▸ CCNA2 P20248 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ CCNB1 P14635 1/20 0.41
▸ ULK1 O75385 1/20 0.41
▸ INSR P06213 1/20 0.41
▸ ALK Q9UM73 1/20 0.41
▸ LCK P06239 1/20 0.40

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
SCHEMBL5413388 0.80 GSK3B (0.51) STK17ASTK17BEGFRIGF1RCDK5
SCHEMBL5405530 0.79 L3MBTL1 (0.57) STK17ASTK17BSYKULK1
SCHEMBL5402321 0.77 STK17A (0.55) STK17ASTK17B
SCHEMBL13788949 0.77 STK17A (0.50) STK17ASTK17BEGFRIGF1RSYK
SCHEMBL4496644 0.76 EGFR (0.50) STK17ASTK17BEGFRRAPGEF4LCK
SCHEMBL5414003 0.75 JAK2 (0.56) STK17ASTK17BSYK
SCHEMBL10187807 0.75 STK17A (0.61) STK17ASTK17BEGFRSYKCDK5
SCHEMBL5413853 0.75 JAK2 (0.68) STK17AEGFRIGF1RSYKCDK5
SCHEMBL5402411 0.74 SYK (0.61) EGFRIGF1RSYKCDK1
SCHEMBL26506369 0.73 CHEK1 (0.54) SYKULK1INSRALK

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-7166599-B2 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-23 — — US disclosed
US-20050090486-A1 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-04-28 — — US disclosed
EP-1453516-A2 NOVEL TRI-SUBSTITUTED PYRIMIDINES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-09-08 — — EP disclosed
US-20030134838-A1 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-07-17 — — US disclosed
WO-2003032994-A2 NOVEL TRI-SUBSTITUTED PYRIMIDINES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-04-24 — — 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 (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-20030134838-A1 Trisubstituted pyrimidines APP, PSEN1, BACE1 STK17A 3301/4885STK17B 3455/4885EGFR 3316/4885
US-20050090486-A1 Trisubstituted pyrimidines APP, BACE1, PSEN1 STK17A 3456/4885STK17B 3502/4885EGFR 3952/4885

“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.

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