SCHEMBL4287808

SCHEMBL4287808

COc1ccc(Cl)cc1C1=CC(N)(c2ccc3ncsc3c2)N=C(N)N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SLC6A4 P31645 1/20 0.36
AGPAT2 O15120 4/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
RECQL P46063 1/20 0.33
GLRA3 O75311 1/20 0.33
GLRB P48167 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CLK1 P49759 3/20 0.32
DYRK1A Q13627 3/20 0.32
DYRK2 Q92630 3/20 0.32

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
SCHEMBL4282568 0.82 ALDH1A1 (0.41) KDM4EALDH1A1AGPAT2RECQLLMNA
SCHEMBL4278353 0.81 AGPAT2 (0.47) KDM4EALDH1A1AGPAT2NPC1RAB9A
SCHEMBL4287813 0.79 ALDH1A1 (0.38) KDM4EALDH1A1SLC6A4AGPAT2NPC1
SCHEMBL4289207 0.78 MAPT (0.43) KDM4EALDH1A1AGPAT2NPC1RAB9A
SCHEMBL4284231 0.71 AGPAT2 (0.33) KDM4EALDH1A1SLC6A4AGPAT2MAPT
SCHEMBL4280058 0.69 HTR2B (0.39) ALDH1A1AGPAT2LMNAMAPTSMN1; SMN2
SCHEMBL4291033 0.67 AGPAT2 (0.43) AGPAT2
SCHEMBL13880177 0.66 AGPAT2 (0.70) AGPAT2MAPT
SCHEMBL4285195 0.66 HTR2B (0.35) ALDH1A1AGPAT2
SCHEMBL4285021 0.65 SCN2A (0.33) KDM4EALDH1A1LMNAMAPTSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7419984-B2 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. (US) 2008-09-02 US claimed
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 KDM4E 1842/4885ALDH1A1 1326/4885SLC6A4 2808/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT KDM4E 2160/4885ALDH1A1 1116/4885SLC6A4 2939/4885

“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.