SCHEMBL2980177

SCHEMBL2980177

CSc1ncc(Cl)c(-c2nnc(Cc3ccccc3)s2)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 3/20 0.39
THRB P10828 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 2/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
RORC P51449 1/20 0.36
NTRK1 P04629 1/20 0.35
RXFP1 Q9HBX9 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
SCHEMBL11865948 0.69 L3MBTL1 (0.42) ALDH1A1SMN1; SMN2TP53MAPTTHRB
SCHEMBL2979553 0.68 FGFR1 (0.34) ALDH1A1SMN1; SMN2TP53MAPTKMT2A
SCHEMBL2984593 0.68 CCNA2 (0.42) ALDH1A1SMN1; SMN2TP53MAPTTHRB
SCHEMBL12993518 0.68 HDAC6 (0.63) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL28060950 0.65 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2THRBKMT2AMEN1
SCHEMBL2988128 0.64 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2TP53MAPTTHRB
SCHEMBL5475245 0.64 L3MBTL1 (0.51) ALDH1A1SMN1; SMN2TP53MAPTKMT2A
SCHEMBL14207826 0.64 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
Hydrogen Sulfide SCHEMBL28084099 0.64 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2THRBKMT2AMEN1
SCHEMBL7245865 0.63 CCNE1 (0.50) ALDH1A1KMT2AMEN1LMNAPOLB

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
EP-1831207-B1 AMINOPYRIMIDINE COMPOUNDS AS PLK INHIBITORS AMGEN INC (US) 2012-11-14 EP 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-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-01-14 US disclosed
EP-1831207-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-09-12 EP disclosed
US-20070185133-A1 Aminopyrimidine compounds and methods of use AMGEN, INC. (US) 2007-08-09 US disclosed
WO-2006066172-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-06-22 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 (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 ALDH1A1 1565/4885SMN1; SMN2 2096/4885TP53 98/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 ALDH1A1 1565/4885SMN1; SMN2 2096/4885TP53 98/4885

“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.