SCHEMBL4356372

SCHEMBL4356372

CCSc1ncc(C(=O)c2ccc(OC)cc2)c(N)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 9/20 0.48
ALDH1A1 P00352 7/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 4/20 0.47
LMNA P02545 3/20 0.47
NPC1 O15118 7/20 0.47
RAB9A P51151 7/20 0.47
PKM P14618 1/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
HSD17B10 Q99714 2/20 0.46
RECQL P46063 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL4347370 0.85 MAPT (0.60) MAPTSMN1; SMN2ALDH1A1HPGDTSHR
SCHEMBL4353088 0.85 MAPT (0.47) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4351161 0.84 ALDH1A1 (0.56) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL17868339 0.80 NPC1 (0.55) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL4348167 0.80 CDK1 (0.52) MAPTSMN1; SMN2ALDH1A1POLBHPGD
SCHEMBL4356379 0.80 ALDH1A1 (0.48) MAPTSMN1; SMN2ALDH1A1POLBHPGD
SCHEMBL4356448 0.78 SMN1; SMN2 (0.51) MAPTKMT2ASMN1; SMN2ALDH1A1POLB
SCHEMBL4348164 0.77 SMN1; SMN2 (0.45) MAPTSMN1; SMN2ALDH1A1POLBHPGD
SCHEMBL4354433 0.77 MAPK1 (0.54) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13621475 0.77 SMN1; SMN2 (0.46) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615634-B2 4-aminopyrimidine-5-one derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-10 US claimed
US-20060229330-A1 4-aminopyrimidine-5-one derivatives BARTKOVITZ DAVID J 2006-10-12 US claimed
US-20040162303-A1 4-aminopyrimidine-5-one derivatives BARTKOVITZ DAVID JOSEPH (US) 2004-08-19 US claimed
US-7615634-B2 4-aminopyrimidine-5-one derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-10 US disclosed
US-7615634-B2 4-aminopyrimidine-5-one derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-10 US disclosed
US-7615634-B2 4-aminopyrimidine-5-one derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-10 US disclosed
US-7157455-B2 4-Aminopyrimidine-5-one derivatives HOFFMANN-LA ROCHE INC. (US) 2007-01-02 US disclosed
US-20060229330-A1 4-aminopyrimidine-5-one derivatives BARTKOVITZ DAVID J 2006-10-12 US disclosed
EP-1628619-A2 4-AMINOPYRIMIDINE-5-ONE F.HOFFMANN-LA ROCHE AG (CH) 2006-03-01 EP disclosed
US-20040162303-A1 4-aminopyrimidine-5-one derivatives BARTKOVITZ DAVID JOSEPH (US) 2004-08-19 US disclosed
WO-2004069139-A2 4-AMINOPYRIMIDIN-5-YL-METHANONE DERIVATIVES FOR INHIBITION OF CDK4 ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2004-08-19 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-20040162303-A1 4-aminopyrimidine-5-one derivatives CDK4, CDKL4, CDK6 MAPT 3721/4885MEN1 3880/4885KMT2A 750/4885
US-20060229330-A1 4-aminopyrimidine-5-one derivatives CDK4, CDKL4, CDK2 MAPT 4113/4885MEN1 3988/4885KMT2A 661/4885

“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.