SCHEMBL13616127

SCHEMBL13616127

COc1ccc(NC(=O)c2ccncc2)cc1C

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.71
ALDH1A1 P00352 3/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
PKM P14618 1/20 0.62
GAA P10253 1/20 0.58
CHRM4 P08173 1/20 0.58
LMNA P02545 4/20 0.56
MAPK1 P28482 3/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
TP53 P04637 2/20 0.56
NPC1 O15118 1/20 0.56
HTT P42858 1/20 0.56
POLB P06746 2/20 0.55
KCNK3 O14649 2/20 0.53
KCNK9 Q9NPC2 1/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL28922759 0.85 RAB9A (0.66) NAMPTALDH1A1MEN1KMT2ALMNA
SCHEMBL4197916 0.84 ALDH1A1 (0.60) NAMPTALDH1A1MEN1KMT2APKM
SCHEMBL20379330 0.84 NAMPT (1.00) NAMPT
SCHEMBL12764158 0.83 RAB9A (0.68) NAMPTKMT2AGAALMNAMAPK1
SCHEMBL11984410 0.82 ALDH1A1 (0.58) NAMPTALDH1A1MEN1KMT2APKM
SCHEMBL4189026 0.80 POLB (0.78) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL13616257 0.79 GAA (0.62) NAMPTGAALMNAMAPK1RAB9A
SCHEMBL12205437 0.79 KCNK3 (0.67) ALDH1A1MEN1KMT2AGAARAB9A
SCHEMBL987058 0.77 POLB (0.65) NAMPTALDH1A1MEN1KMT2APKM
SCHEMBL3271513 0.77 RAB9A (0.77) NAMPTALDH1A1MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 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-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses PRKDC, TK2, PNKP NAMPT 862/4885ALDH1A1 1780/4885MEN1 3138/4885

“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.