SCHEMBL4354433

SCHEMBL4354433

CCSc1ncc(C(=O)c2cc(Cl)ccc2OC)c(N)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.54
CDK1 P06493 1/20 0.52
CDK4 P11802 1/20 0.52
CCND1 P24385 1/20 0.52
CDK2 P24941 1/20 0.52
MAPT P10636 6/20 0.49
ALDH1A1 P00352 9/20 0.47
SMN1; SMN2 Q16637 8/20 0.47
TDP1 Q9NUW8 3/20 0.47
HPGD P15428 3/20 0.47
POLB P06746 1/20 0.47
LMNA P02545 3/20 0.45
NPC1 O15118 5/20 0.45
TSHR P16473 3/20 0.45
RECQL P46063 1/20 0.45
HTT P42858 1/20 0.45
USP2 O75604 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43

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
SCHEMBL4356448 0.90 SMN1; SMN2 (0.51) MAPK1MAPTALDH1A1SMN1; SMN2TDP1
SCHEMBL4351161 0.89 ALDH1A1 (0.56) MAPTALDH1A1SMN1; SMN2TDP1HPGD
SCHEMBL4352506 0.88 CDK1 (0.51) MAPK1CDK1CDK4CCND1CDK2
SCHEMBL4348167 0.85 CDK1 (0.52) CDK1CDK4CCND1CDK2MAPT
SCHEMBL4352555 0.84 SMN1; SMN2 (0.43) MAPK1CDK1CDK4CCND1CDK2
SCHEMBL4352791 0.83 CDK1 (0.49) MAPK1CDK1CDK4CCND1CDK2
SCHEMBL4355723 0.81 CDK1 (0.55) MAPK1CDK1CDK4CCND1CDK2
SCHEMBL13621473 0.81 CDK1 (0.51) MAPK1CDK1CDK4CCND1CDK2
SCHEMBL4346730 0.81 CDK1 (0.52) MAPK1CDK1CDK4CCND1CDK2
SCHEMBL4347370 0.81 MAPT (0.60) MAPK1MAPTALDH1A1SMN1; SMN2HPGD

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 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-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 MAPK1 742/4885CDK1 6/4885CDK4 1/4885
US-20060229330-A1 4-aminopyrimidine-5-one derivatives CDK4, CDKL4, CDK2 MAPK1 581/4885CDK1 6/4885CDK4 1/4885

“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.