SCHEMBL2497628

SCHEMBL2497628

O=C(O)c1cnc(Nc2cccnc2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.55
ALDH1A1 P00352 3/20 0.55
HCAR3 P49019 2/20 0.55
GAA P10253 2/20 0.55
APP P05067 1/20 0.55
HCAR2 Q8TDS4 1/20 0.55
NAMPT P43490 3/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
PKM P14618 1/20 0.51
ABL1 P00519 1/20 0.51
BCR P11274 1/20 0.51
PRKCA P17252 1/20 0.51
LMNA P02545 2/20 0.50
HIF1A Q16665 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
GSK3B P49841 3/20 0.47
GSK3A P49840 2/20 0.47

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
SCHEMBL30923165 1.00 HDAC6 (0.55) HDAC6ALDH1A1HCAR3GAAAPP
SCHEMBL670354 0.86 HDAC6 (0.72) HDAC6HCAR3GSK3BGSK3AHDAC3
SCHEMBL2499020 0.85 HDAC6 (0.50) HDAC6ALDH1A1NAMPTNPC1RAB9A
SCHEMBL30923250 0.85 F7 (0.56) HDAC6NAMPTNPC1RAB9APKM
SCHEMBL30923086 0.83 CAMK2D (0.56) HDAC6ALDH1A1HCAR3GAAAPP
SCHEMBL2495347 0.83 ALDH1A1 (0.61) HDAC6ALDH1A1RAB9AABL1BCR
SCHEMBL27906016 0.81 NAMPT (0.58) ALDH1A1HCAR3GAAAPPHCAR2
Hydrochloric Acid SCHEMBL22441333 0.80 NAMPT (0.56) ALDH1A1HCAR3GAAAPPHCAR2
Hydrochloric Acid SCHEMBL29365863 0.80 NAMPT (0.56) ALDH1A1HCAR3GAAAPPHCAR2
SCHEMBL3629913 0.79 HDAC6 (0.51) HDAC6NPC1RAB9AGSK3BGSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US disclosed
WO-2008008234-A1 2-AMINO-5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-17 WO disclosed
WO-2008008234-A1 2-AMINO-5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-17 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 (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-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS KDR, FLT4, FLT1 HDAC6 4252/4885ALDH1A1 3119/4885HCAR3 700/4885

“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.