SCHEMBL4024290

SCHEMBL4024290

CC(=O)c1cn(Cc2ccccc2)c(C)n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 2/20 0.47
BRD4 O60885 5/20 0.47
NOTUM Q6P988 1/20 0.45
RIPK1 Q13546 1/20 0.44
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
CYP2D6 P10635 1/20 0.41
HTT P42858 1/20 0.41
KLKB1 P03952 2/20 0.41

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
SCHEMBL4734075 0.89 BRD4 (0.57) LMNATSHRBRD4NOTUMRIPK1
SCHEMBL16862950 0.86 BRD4 (0.59) BRD4NOTUMRIPK1KLKB1
SCHEMBL17241086 0.84 P2RX7 (0.46) SMN1; SMN2LMNABRD4NOTUMRIPK1
SCHEMBL17166094 0.83 TSHR (0.46) SMN1; SMN2LMNATSHRBRD4NOTUM
SCHEMBL16862955 0.82 ALDH1A1 (0.60) LMNATSHRALDH1A1GAAKDM4E
Trifluoroacetic Acid SCHEMBL4737901 0.81 BRD4 (0.51) TSHRBRD4NOTUMRIPK1L3MBTL1
SCHEMBL4737896 0.78 BRD4 (0.41) LMNABRD4NOTUMRIPK1ALDH1A1
SCHEMBL2360506 0.78 BRD4 (0.47) SMN1; SMN2BRD4ALDH1A1TP53
SCHEMBL13363565 0.77 BRD4 (0.46) SMN1; SMN2LMNABRD4NOTUMRIPK1
SCHEMBL15701785 0.76 BRD4 (0.47) SMN1; SMN2LMNATSHRBRD4NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1485375-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2009-06-17 EP disclosed
US-7485638-B2 Pyrimidine compounds ASTRAZENECA AB (SE) 2009-02-03 US disclosed
US-20050256311-A1 Pyrimidine compounds ASTRAZENECA AB (SE) 2005-11-17 US disclosed
EP-0116205-A1 4(5)-Acetyl-2-methylimidazole process PFIZER INC. (US) 1984-08-22 EP 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-20050256311-A1 Pyrimidine compounds TYMP, TYMS, CCNT1 SMN1; SMN2 2086/4885LMNA 2057/4885TSHR 2665/4885

“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.