SCHEMBL4284941

SCHEMBL4284941

COc1ccc(Cl)cc1-c1nc(N)nc(Cl)c1C

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.54
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.51
AGPAT2 O15120 11/20 0.51
HSP90AA1 P07900 2/20 0.50
HSP90AB1 P08238 2/20 0.50
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HRH4 Q9H3N8 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
JAK2 O60674 1/20 0.44

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
SCHEMBL4286785 0.84 RECQL (0.53) RECQLALDH1A1KDM4EAGPAT2HSP90AA1
SCHEMBL9566471 0.77 RECQL (0.78) RECQLALDH1A1KDM4EAGPAT2HSP90AA1
SCHEMBL931552 0.74 ALDH1A1 (0.55) RECQLALDH1A1KDM4EAGPAT2HSP90AA1
SCHEMBL4280537 0.74 HSP90AA1 (0.71) RECQLALDH1A1KDM4EAGPAT2HSP90AA1
SCHEMBL4786950 0.73 MGAM (0.47) RECQLALDH1A1AGPAT2HSP90AA1HSP90AB1
SCHEMBL2328134 0.73 ADORA1 (0.59) RECQLALDH1A1KDM4EL3MBTL1
SCHEMBL7699644 0.72 ALDH1A1 (0.56) RECQLALDH1A1KDM4EAGPAT2MEN1
SCHEMBL2493822 0.72 ALDH1A1 (0.48) RECQLALDH1A1KDM4EAGPAT2MEN1
SCHEMBL21583561 0.72 ADORA2A (0.51) ALDH1A1HSP90AB1MEN1LMNAKMT2A
SCHEMBL19876494 0.71 ALDH1A1 (0.51) RECQLALDH1A1KDM4EAGPAT2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099183-A1 PYRIMIDINES AND USES THEREOF CELL THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
US-7419984-B2 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. (US) 2008-09-02 US disclosed
US-20040204386-A1 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. 2004-10-14 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 (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-20040204386-A1 Pyrimidines and uses thereof LPCAT3, LPCAT1, APRT RECQL 1820/4885ALDH1A1 1326/4885KDM4E 1842/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT RECQL 2213/4885ALDH1A1 1116/4885KDM4E 2160/4885

“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.