SCHEMBL4348384

SCHEMBL4348384

CCc1ccc(F)cc1C(=O)c1cnc(SC)nc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 5/20 0.41
RXFP1 Q9HBX9 2/20 0.41
LMNA P02545 4/20 0.39
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 7/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 5/20 0.38
ALDH1A1 P00352 5/20 0.38
RAB9A P51151 5/20 0.38
TSHR P16473 2/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38

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
SCHEMBL13621485 0.89 SMN1; SMN2 (0.42) HTTMAPK1MAPTLMNASMN1; SMN2
SCHEMBL4354299 0.85 MAPK1 (0.45) HTTMAPK1MAPTRXFP1LMNA
SCHEMBL4361083 0.82 CDK1 (0.53) HTTMAPK1MAPTRXFP1SMN1; SMN2
SCHEMBL27708339 0.79 CDK4 (0.36) HTTLMNASMN1; SMN2MEN1TP53
SCHEMBL4347552 0.79 CDK4 (0.36) MAPTSMN1; SMN2TP53NPC1ALDH1A1
SCHEMBL4358951 0.78 CDK4 (0.35) MAPTSMN1; SMN2TP53NPC1ALDH1A1
SCHEMBL4357734 0.78 SMN1; SMN2 (0.44) HTTMAPK1MAPTLMNASMN1; SMN2
SCHEMBL4355088 0.75 SMN1; SMN2 (0.42) HTTMAPK1MAPTLMNANPSR1
SCHEMBL13621484 0.75 SMN1; SMN2 (0.44) HTTMAPK1MAPTLMNASMN1; SMN2
SCHEMBL4352506 0.75 CDK1 (0.51) HTTMAPK1MAPTLMNASMN1; SMN2

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 9 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-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 HTT 4508/4885MAPK1 742/4885MAPT 3721/4885
US-20060229330-A1 4-aminopyrimidine-5-one derivatives CDK4, CDKL4, CDK2 HTT 3941/4885MAPK1 581/4885MAPT 4113/4885

“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.