SCHEMBL5410531

SCHEMBL5410531

CNc1nc(Nc2ccc(Cl)cc2F)ncc1N

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 12/20 0.44
▸ SYK P43405 1/20 0.43
▸ EGFR P00533 3/20 0.43
▸ NUDT1 P36639 1/20 0.41
▸ BCDIN3D Q7Z5W3 1/20 0.41
▸ KDR P35968 3/20 0.41
▸ FLT1 P17948 2/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ EPHB2 P29323 1/20 0.40
▸ FLT4 P35916 1/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ STK17A Q9UEE5 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
SCHEMBL5416094 0.80 NUDT1 (0.45) LRRK2SYKEGFRNUDT1KDR
SCHEMBL5413361 0.80 GLO1 (0.53) LRRK2SYKEGFRNUDT1
SCHEMBL5405462 0.80 STK17A (0.51) LRRK2NUDT1STK17A
SCHEMBL5414003 0.78 JAK2 (0.56) LRRK2SYKKDRJAK2STK17A
SCHEMBL5416108 0.78 LRRK2 (0.48) LRRK2SYKEGFRNUDT1
SCHEMBL5417363 0.77 LRRK2 (0.46) LRRK2SYKNUDT1KDR
SCHEMBL5402411 0.76 SYK (0.61) LRRK2SYKEGFRJAK2
SCHEMBL5420252 0.76 ALK (0.41) LRRK2EGFRNUDT1BCDIN3D
SCHEMBL5424196 0.76 LRRK2 (0.60) LRRK2JAK2
SCHEMBL5021212 0.72 LRRK2 (0.44) LRRK2JAK2

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 619/4885SYK 1842/4885EGFR 3316/4885
US-20050090486-A1 Trisubstituted pyrimidines APP, BACE1, PSEN1 LRRK2 775/4885SYK 818/4885EGFR 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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