SCHEMBL5424196

SCHEMBL5424196

CNc1nc(Nc2ccccc2Cl)ncc1N

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 6/20 0.60
▸ IGF1R P08069 5/20 0.59
▸ ULK1 O75385 1/20 0.54
▸ JAK2 O60674 2/20 0.54
▸ AURKA O14965 3/20 0.51
▸ TSHR P16473 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ CDK19 Q9BWU1 1/20 0.46
▸ ALK Q9UM73 1/20 0.46
▸ AURKB Q96GD4 2/20 0.46
▸ HDAC3 O15379 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL10999792 0.79 IGF1R (0.55) LRRK2IGF1RULK1JAK2AURKA
SCHEMBL5413853 0.79 JAK2 (0.68) LRRK2IGF1RJAK2AURKACDK19
SCHEMBL5418647 0.78 IGF1R (0.59) LRRK2IGF1RULK1JAK2AURKA
SCHEMBL5414003 0.77 JAK2 (0.56) LRRK2JAK2AURKA
SCHEMBL5402321 0.76 STK17A (0.55) LRRK2JAK2AURKAMAPTKMT2A
SCHEMBL5410531 0.76 LRRK2 (0.44) LRRK2JAK2
SCHEMBL5402411 0.75 SYK (0.61) LRRK2IGF1RJAK2KDM4EMAPT
SCHEMBL656813 0.75 AURKA (0.84) IGF1RULK1JAK2AURKAALK
SCHEMBL11342607 0.75 IGF1R (1.00) LRRK2IGF1RULK1JAK2AURKA
SCHEMBL12876567 0.74 LRRK2 (0.39) LRRK2ULK1JAK2AURKAAURKB

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 LRRK2 619/4885IGF1R 1724/4885ULK1 2704/4885
US-20050090486-A1 Trisubstituted pyrimidines APP, BACE1, PSEN1 LRRK2 775/4885IGF1R 1986/4885ULK1 2710/4885

“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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