SCHEMBL4288850

SCHEMBL4288850

Cc1nc(Nc2ccc(Cl)cc2)cc(-c2cc(Cl)ccc2C)n1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 16/20 0.74
TP53 P04637 2/20 0.68
MAPT P10636 2/20 0.68
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
NPC1 O15118 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL4279343 0.92 AGPAT2 (0.77) AGPAT2TP53MAPTLMNAPOLB
SCHEMBL13880171 0.85 AGPAT2 (1.00) AGPAT2NPC1CYP1A2CYP3A4CYP2C19
SCHEMBL4286837 0.85 AGPAT2 (0.75) AGPAT2TP53MAPT
SCHEMBL25039650 0.82 AGPAT2 (0.53) AGPAT2TP53MAPTLMNAPOLB
SCHEMBL4287579 0.81 AGPAT2 (0.62) AGPAT2TP53MAPTPOLBNPC1
SCHEMBL21953141 0.80 AGPAT2 (0.57) AGPAT2TP53MAPTLMNAPOLB
SCHEMBL13880169 0.80 AGPAT2 (0.90) AGPAT2NPC1CYP1A2CYP3A4CYP2C19
SCHEMBL13880247 0.79 AGPAT2 (0.87) AGPAT2NPC1CYP1A2CYP3A4CYP2C19
SCHEMBL4277914 0.79 AGPAT2 (0.50) AGPAT2TP53MAPTPOLBCYP3A4
SCHEMBL10330598 0.79 RAB9A (0.71) AGPAT2TP53MAPTLMNAPOLB

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 8 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-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 100/4885TP53 1143/4885MAPT 3800/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT AGPAT2 94/4885TP53 1268/4885MAPT 3707/4885

“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.