SCHEMBL13016261

SCHEMBL13016261

CSc1nccc(C(=O)NN)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.51
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.41
KDM4E B2RXH2 2/20 0.40
KDM5A P29375 1/20 0.40
JMJD1C Q15652 1/20 0.40
KDM3A Q9Y4C1 1/20 0.40
ACACB O00763 1/20 0.38
MPO P05164 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C19 P33261 1/20 0.38
THRB P10828 1/20 0.36
PIK3CA P42336 1/20 0.36

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
SCHEMBL28067910 0.85 PLK1 (0.41) KMT2AALDH1A1MAPTALOX15KDM4E
SCHEMBL5750651 0.84 KMT2A (0.38) KMT2AALOX15KDM4EKDM5AJMJD1C
SCHEMBL3883171 0.83 ALDH1A1 (0.38) P2RX7KMT2AALDH1A1ALOX15ACACB
SCHEMBL29835033 0.81 KMT2A (0.46) KMT2AALDH1A1GAAMAPTALOX15
SCHEMBL1489345 0.81 KMT2A (0.46) KMT2AALDH1A1GAAMAPTALOX15
SCHEMBL13202841 0.80 ALOX15 (0.42) KMT2AALDH1A1GAAMAPTALOX15
SCHEMBL750794 0.79 ALDH1A1 (0.42) KMT2AALDH1A1GAAMAPTALOX15
SCHEMBL1735064 0.79 KDM4E (0.49) KMT2AALDH1A1MAPTALOX15KDM4E
SCHEMBL1785258 0.78 L3MBTL1 (0.45) KMT2AALDH1A1GAAMAPTKDM4E
SCHEMBL6204024 0.77 KMT2A (0.41) KMT2AALDH1A1GAAMAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858785-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-12-28 US disclosed
US-7858785-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-12-28 US disclosed
US-7786132-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-08-31 US disclosed
US-7786132-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-08-31 US disclosed
US-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-01-14 US disclosed
US-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-01-14 US disclosed
US-20070185133-A1 Aminopyrimidine compounds and methods of use AMGEN, INC. (US) 2007-08-09 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 (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-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PLK1, TYMP, TK2 P2RX7 1457/4885KMT2A 1112/4885ALDH1A1 1565/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 P2RX7 1457/4885KMT2A 1112/4885ALDH1A1 1565/4885

“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.