SCHEMBL4821059

SCHEMBL4821059

CN(C)c1nc2ncnn2c(NC2CCCC2)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
NR2F2 P24468 1/20 0.41
ADORA3 P0DMS8 9/20 0.39
ADORA2A P29274 9/20 0.39
ADORA1 P30542 8/20 0.39
ADORA2B P29275 7/20 0.39
NRP1 O14786 3/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
ENPP1 P22413 1/20 0.38

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
SCHEMBL8806276 0.83 ADORA3 (0.42) RAB9AMEN1KMT2ANPC1NR2F2
SCHEMBL8805373 0.83 USP2 (0.40) RAB9AMEN1KMT2ANPC1NR2F2
SCHEMBL8807136 0.83 NRP1 (0.41) RAB9AMEN1KMT2ANPC1NR2F2
SCHEMBL4822465 0.81 PDE2A (0.40) RAB9AMEN1KMT2ANPC1NR2F2
SCHEMBL4819307 0.74 ALOX5 (0.42) RAB9AMEN1KMT2ANPC1ADORA3
SCHEMBL14337403 0.72 MEN1 (0.46) RAB9AMEN1KMT2ANPC1NR2F2
SCHEMBL4818794 0.72 ADORA3 (0.43) RAB9AMEN1KMT2ANPC1ADORA3
SCHEMBL8805553 0.72 ALDH1A1 (0.47) RAB9ANPC1ADORA3ADORA2AADORA1
SCHEMBL8805228 0.72 ALDH1A1 (0.47) RAB9ANPC1ADORA3ADORA2AADORA1
SCHEMBL8806220 0.70 ADORA3 (0.42) MEN1KMT2AADORA3ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329663-B2 Substituted-triazolopyrimidines as anticancer agents WYETH (US) 2008-02-12 US claimed
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 US claimed
US-7329663-B2 Substituted-triazolopyrimidines as anticancer agents WYETH (US) 2008-02-12 US disclosed
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 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-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents TUBB3, TUBA1C, TUBB1 RAB9A 2541/4885MEN1 2807/4885KMT2A 2012/4885

“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.