SCHEMBL4286028

SCHEMBL4286028

COc1ccc(Cl)cc1-c1nc(N)cc(Nc2ccc3cn[nH]c3c2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 16/20 1.00
IGF1R P08069 1/20 0.47
MAOB P27338 1/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL13880150 0.84 AGPAT2 (1.00) AGPAT2MAPT
SCHEMBL13880193 0.82 AGPAT2 (1.00) AGPAT2IGF1RMAOBALDH1A1KDM4E
SCHEMBL4282928 0.81 AGPAT2 (0.80) AGPAT2IGF1RMAOBALDH1A1KDM4E
SCHEMBL4277512 0.80 AGPAT2 (1.00) AGPAT2ALDH1A1MAPT
SCHEMBL13880220 0.77 AGPAT2 (0.68) AGPAT2IGF1RMAOBALDH1A1KDM4E
SCHEMBL13880213 0.76 AGPAT2 (0.66) AGPAT2IGF1RMAOBALDH1A1KDM4E
SCHEMBL2310806 0.74 AGPAT2 (0.69) AGPAT2ALDH1A1MAPT
SCHEMBL4367953 0.74 AGPAT2 (0.73) AGPAT2ALDH1A1KDM4EMAPTHTT
SCHEMBL13880217 0.74 AGPAT2 (1.00) AGPAT2
SCHEMBL13880181 0.73 AGPAT2 (0.78) AGPAT2

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 7 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-20090099183-A1 PYRIMIDINES AND USES THEREOF CELL THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
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-7419984-B2 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. (US) 2008-09-02 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 AGPAT2 100/4885IGF1R 3830/4885MAOB 1532/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT AGPAT2 94/4885IGF1R 3544/4885MAOB 1354/4885

“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.