SCHEMBL5405477

SCHEMBL5405477

CNc1nc(Nc2ccccc2)ncc1NC(=O)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 7/20 0.57
▸ JAK2 O60674 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ GAA P10253 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ PTK2 Q05397 4/20 0.48
▸ IGF1R P08069 2/20 0.48
▸ PKMYT1 Q99640 2/20 0.48
▸ INSR P06213 1/20 0.48
▸ PTK2B Q14289 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ ROS1 P08922 1/20 0.48
▸ ALK Q9UM73 1/20 0.48
▸ SLC2A1 P11166 1/20 0.48

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
SCHEMBL5407946 0.90 LRRK2 (0.63) LRRK2JAK2PTK2IGF1RPKMYT1
SCHEMBL5402348 0.88 LRRK2 (0.54) LRRK2JAK2CYP2C9CYP2C19PKMYT1
SCHEMBL5418916 0.88 LRRK2 (0.56) LRRK2JAK2SMN1; SMN2MAPTPTK2
SCHEMBL5402297 0.87 LRRK2 (0.59) LRRK2JAK2ROS1ALK
SCHEMBL5413881 0.86 LRRK2 (0.53) LRRK2JAK2MAPTPTK2PKMYT1
SCHEMBL5416251 0.85 LRRK2 (0.60) LRRK2JAK2ROS1ALK
SCHEMBL5413821 0.83 LRRK2 (0.51) LRRK2JAK2SMN1; SMN2HPGDROS1
SCHEMBL5408668 0.79 LRRK2 (0.55) LRRK2JAK2
SCHEMBL5408196 0.75 MEN1 (0.54) LRRK2JAK2MAPTCYP2C19NPC1
SCHEMBL5405435 0.75 LRRK2 (0.51) LRRK2JAK2PTK2ROS1ALK

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 LRRK2 619/4885JAK2 4450/4885SMN1; SMN2 131/4885
US-20050090486-A1 Trisubstituted pyrimidines APP, BACE1, PSEN1 LRRK2 775/4885JAK2 4231/4885SMN1; SMN2 178/4885

“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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