SCHEMBL4282568

SCHEMBL4282568

COc1ccc(Cl)cc1C1=CC(N)(c2ccc(N)cc2)N=C(N)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
AGPAT2 O15120 11/20 0.39
RECQL P46063 1/20 0.39
CYP19A1 P11511 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
LRRK2 Q5S007 1/20 0.37
USP2 O75604 1/20 0.37
PRNP P04156 1/20 0.37
HPGD P15428 1/20 0.37
PPARG P37231 1/20 0.37
MAPK10 P53779 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.35

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
SCHEMBL4278353 0.91 AGPAT2 (0.47) ALDH1A1KDM4EAGPAT2RECQLEGFR
SCHEMBL4289207 0.83 MAPT (0.43) ALDH1A1KDM4EAGPAT2USP2PRNP
SCHEMBL4287808 0.82 KDM4E (0.39) ALDH1A1KDM4EAGPAT2RECQLEGFR
SCHEMBL4280058 0.79 HTR2B (0.39) ALDH1A1AGPAT2LRRK2RXFP1LMNA
SCHEMBL4284231 0.78 AGPAT2 (0.33) ALDH1A1KDM4EAGPAT2USP2HSD17B10
SCHEMBL4291033 0.76 AGPAT2 (0.43) AGPAT2
SCHEMBL4285195 0.75 HTR2B (0.35) ALDH1A1AGPAT2RXFP1
SCHEMBL4285021 0.74 SCN2A (0.33) ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL4282572 0.74 AGPAT2 (0.41) ALDH1A1KDM4EAGPAT2RECQLCYP19A1
SCHEMBL4282686 0.71 CYP1A2 (0.39) HPGDNCOA1MEN1LMNAKMT2A

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 1842/4885AGPAT2 100/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT ALDH1A1 1116/4885KDM4E 2160/4885AGPAT2 94/4885

“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.