SCHEMBL5014082

SCHEMBL5014082

NC(=O)C(=Cc1ncc2cn[nH]c2n1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
JAK2 O60674 1/20 0.38
CCNE2 O96020 5/20 0.38
CCNE1 P24864 5/20 0.38
CDK2 P24941 5/20 0.38
CCNB2 O95067 3/20 0.36
CDK1 P06493 3/20 0.36
CCNB1 P14635 3/20 0.36
CCNB3 Q8WWL7 3/20 0.36
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
FLT3 P36888 2/20 0.36
BRAF P15056 1/20 0.36
ROCK1 Q13464 2/20 0.35
PLK4 O00444 1/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
MAP4K4 O95819 1/20 0.35

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
SCHEMBL16102105 0.80 PDE10A (0.40) NPC1RAB9AKDRALDH1A1SMN1; SMN2
SCHEMBL5014075 0.76 KMT2A (0.38) NPC1RAB9AJAK2FLT3BRAF
SCHEMBL20995693 0.74 AKR1C1 (0.43) NPC1RAB9ACTNNB1WNT3ACDK5
SCHEMBL5017650 0.71 NPC1 (0.55) NPC1RAB9AJAK2CDK2CDK1
SCHEMBL16180627 0.69 CDK8 (0.52) JAK2CDK2CDK1FLT3ROCK1
SCHEMBL81783 0.68 CSF1R (0.40) NPC1RAB9AJAK2CCNE2CCNE1
SCHEMBL4667806 0.68 CAMKK2 (0.37) CHEK1AURKAFGFR1KDRALDH1A1
SCHEMBL4667799 0.68 CAMKK2 (0.37) CHEK1AURKAFGFR1KDRALDH1A1
SCHEMBL23593943 0.66 AKR1C1 (0.70) ALDH1A1MAPTHPGDMAPK1AKR1C1
SCHEMBL6689798 0.66 AKR1C1 (0.70) ALDH1A1MAPTHPGDMAPK1AKR1C1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 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 (1 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-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PDPK1 NPC1 795/4885RAB9A 1142/4885JAK2 86/4885

“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.