SCHEMBL4287813

SCHEMBL4287813

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SLC6A4 P31645 1/20 0.36
AGPAT2 O15120 9/20 0.33
GLRA3 O75311 1/20 0.33
GLRB P48167 1/20 0.33
RECQL P46063 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
LRRK2 Q5S007 1/20 0.32
POLB P06746 1/20 0.31
AMY1A P0DUB6 1/20 0.31

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
SCHEMBL4282572 0.82 AGPAT2 (0.41) ALDH1A1KDM4EAGPAT2RECQLMEN1
SCHEMBL4278355 0.80 AGPAT2 (0.46) ALDH1A1KDM4EAGPAT2RECQLAMY1A
SCHEMBL4287808 0.79 KDM4E (0.39) ALDH1A1KDM4ESLC6A4AGPAT2GLRA3
SCHEMBL4289214 0.77 MAPT (0.42) ALDH1A1KDM4EAGPAT2GLRA3GLRB
SCHEMBL4284234 0.71 AGPAT2 (0.34) ALDH1A1KDM4ESLC6A4AGPAT2RECQL
SCHEMBL4280064 0.69 HTR2B (0.38) ALDH1A1KDM4EAGPAT2RAB9A
SCHEMBL4282527 0.67 HSP90AA1 (0.34) KDM4ESLC6A4MEN1KMT2ANPC1
SCHEMBL13880177 0.67 AGPAT2 (0.70) AGPAT2
SCHEMBL4291037 0.66 AGPAT2 (0.44) AGPAT2
SCHEMBL4285201 0.66 HTR2B (0.35) ALDH1A1AGPAT2

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 ALDH1A1 1326/4885KDM4E 1842/4885SLC6A4 2808/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT ALDH1A1 1116/4885KDM4E 2160/4885SLC6A4 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.