SCHEMBL4825327

SCHEMBL4825327

CC(=O)c1c(C)nc(C)n1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
MEN1 O00255 2/20 0.35
PKM P14618 2/20 0.35
MDM2 Q00987 1/20 0.35
ALDH1A1 P00352 5/20 0.34
MAPT P10636 4/20 0.34
KDM4E B2RXH2 3/20 0.34
POLB P06746 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.33
GLA P06280 1/20 0.33
HTT P42858 1/20 0.32
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
MAPK1 P28482 1/20 0.31
CSNK1E P49674 1/20 0.30

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
SCHEMBL4825098 0.73 ALDH1A1 (0.37) KMT2ACYP1A2SMN1; SMN2MEN1ALDH1A1
Hydrochloric Acid SCHEMBL28202421 0.71 KMT2A (0.41) KMT2ACYP1A2SMN1; SMN2MEN1PKM
SCHEMBL23400990 0.63 ALDH1A1 (0.35) KMT2ACYP1A2ALDH1A1MAPTKDM4E
SCHEMBL3197855 0.61 KMT2A (0.40) KMT2ACYP1A2SMN1; SMN2MEN1PKM
SCHEMBL20159610 0.60 HPGD (0.36) KMT2ACYP1A2SMN1; SMN2ALDH1A1
Acetic Acid SCHEMBL28203964 0.60 SMN1; SMN2 (0.37) CYP1A2SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL31661272 0.57 KMT2A (0.50) KMT2ACYP1A2SMN1; SMN2MEN1PKM
SCHEMBL3402379 0.55 SMN1; SMN2 (0.37) KMT2ACYP1A2SMN1; SMN2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL28202073 0.55 SMN1; SMN2 (0.37) KMT2ASMN1; SMN2ALDH1A1KDM4EPOLB
Bromide SCHEMBL27981879 0.55 SMN1; SMN2 (0.37) KMT2ASMN1; SMN2ALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446105-B2 Pyrimidine compounds ASTRAZENECA AB (SE) 2008-11-04 US disclosed
US-20050119291-A1 Pyrimidine compounds ASTRAZENECA AB (SE) 2005-06-02 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 (1 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-20050119291-A1 Pyrimidine compounds TYMP, TYMS, CCNT1 KMT2A 3174/4885CYP1A2 1733/4885SMN1; SMN2 2553/4885

“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.