SCHEMBL5405530

SCHEMBL5405530

CNc1nc(Nc2ccc(C)c(C)c2)ncc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ STK17A Q9UEE5 6/20 0.56
▸ STK17B O94768 2/20 0.53
▸ JAK2 O60674 2/20 0.50
▸ ULK1 O75385 1/20 0.49
▸ RAB9A P51151 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ AURKA O14965 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ SYK P43405 3/20 0.44
▸ LRRK2 Q5S007 2/20 0.43
▸ TP53 P04637 1/20 0.42
▸ POLB P06746 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
SCHEMBL5402321 0.82 STK17A (0.55) STK17ASTK17BJAK2RAB9AKMT2A
SCHEMBL5414003 0.79 JAK2 (0.56) STK17ASTK17BJAK2AURKASYK
SCHEMBL5413853 0.79 JAK2 (0.68) GAASTK17AJAK2AURKASYK
SCHEMBL5405551 0.79 STK17A (0.55) STK17ASTK17BULK1SYK
SCHEMBL5402411 0.78 SYK (0.61) KDM4EGAAJAK2KMT2AMAPT
SCHEMBL5410396 0.78 GSK3B (0.55) L3MBTL1KDM4EGAASTK17ASTK17B
SCHEMBL5413299 0.77 JAK2 (0.47) GAAJAK2ULK1RAB9AKMT2A
SCHEMBL656555 0.77 AURKA (0.68) STK17AJAK2AURKASYKSRC
SCHEMBL12705392 0.74 AURKA (0.58) RAB9AMAPTAURKASYK
SCHEMBL12876567 0.74 LRRK2 (0.39) JAK2ULK1AURKASYKLRRK2

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 3 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
US-20030134838-A1 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-07-17 — — 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-20030134838-A1 Trisubstituted pyrimidines APP, PSEN1, BACE1 L3MBTL1 3293/4885KDM4E 2886/4885GAA 761/4885
US-20050090486-A1 Trisubstituted pyrimidines APP, BACE1, PSEN1 L3MBTL1 4427/4885KDM4E 3600/4885GAA 981/4885

“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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