SCHEMBL4277512

SCHEMBL4277512

COc1ccc(Cl)cc1-c1nc(N)cc(Nc2ccc(Br)cc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AGPAT2 O15120 17/20 1.00
▸ MEN1 O00255 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ PABPC1 P11940 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ RECQL P46063 1/20 0.49

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
SCHEMBL13622456 0.81 AGPAT2 (0.86) AGPAT2MEN1KMT2AALDH1A1RECQL
SCHEMBL13880144 0.81 AGPAT2 (1.00) AGPAT2
SCHEMBL4286028 0.80 AGPAT2 (1.00) AGPAT2MAPTALDH1A1
SCHEMBL5371435 0.78 AGPAT2 (1.00) AGPAT2
SCHEMBL2310806 0.78 AGPAT2 (0.69) AGPAT2MAPTALDH1A1
SCHEMBL4281775 0.78 AGPAT2 (0.77) AGPAT2MAPT
SCHEMBL4281666 0.77 AGPAT2 (0.67) AGPAT2MEN1KMT2AALDH1A1RECQL
SCHEMBL13880323 0.76 AGPAT2 (0.89) AGPAT2
SCHEMBL14439013 0.75 AGPAT2 (1.00) AGPAT2
SCHEMBL13880138 0.73 AGPAT2 (1.00) 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 100/4885MEN1 3158/4885NPC1 1406/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT AGPAT2 94/4885MEN1 3425/4885NPC1 1299/4885

“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.

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