SCHEMBL5413299

SCHEMBL5413299

CNc1nc(Nc2ccc(C(C)(C)C)cc2)ncc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.47
▸ LRRK2 Q5S007 1/20 0.47
▸ SYK P43405 3/20 0.46
▸ PTK2 Q05397 2/20 0.44
▸ AURKA O14965 6/20 0.42
▸ KIT P10721 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ CCNK O75909 1/20 0.42
▸ CCND3 P30281 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ CDK6 Q00534 1/20 0.42
▸ CDK4 P11802 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RAB9A P51151 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
SCHEMBL5414003 0.82 JAK2 (0.56) JAK2LRRK2SYKAURKAKDR
SCHEMBL5413853 0.82 JAK2 (0.68) JAK2LRRK2SYKPTK2AURKA
SCHEMBL5414043 0.78 GSK3B (0.59) JAK2LRRK2SYKPTK2AURKA
SCHEMBL5405530 0.77 L3MBTL1 (0.57) JAK2LRRK2SYKAURKAMEN1
SCHEMBL655316 0.77 AURKA (0.69) JAK2SYKPTK2AURKAFLT3
SCHEMBL5402321 0.76 STK17A (0.55) JAK2LRRK2AURKAMEN1MAPT
SCHEMBL12705392 0.74 AURKA (0.58) SYKAURKACDK2MAPTRAB9A
SCHEMBL12876567 0.74 LRRK2 (0.39) JAK2LRRK2SYKAURKAKIT
SCHEMBL12065029 0.74 ALK (0.63) SYKFLT3CCNKCCND3CDK9
SCHEMBL5514474 0.74 SYK (0.65) JAK2LRRK2SYKAURKACCNK

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 JAK2 4450/4885LRRK2 619/4885SYK 1842/4885
US-20050090486-A1 Trisubstituted pyrimidines APP, BACE1, PSEN1 JAK2 4231/4885LRRK2 775/4885SYK 818/4885

“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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