SCHEMBL4289207

SCHEMBL4289207

COc1ccc(Cl)cc1C1=CC(N)(c2ccc3c(c2)OCO3)N=C(N)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
NPC1 O15118 3/20 0.43
HSD17B10 Q99714 3/20 0.43
TP53 P04637 2/20 0.43
RAB9A P51151 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TSHR P16473 1/20 0.43
STK10 O94804 1/20 0.37
SLK Q9H2G2 1/20 0.37
AGPAT2 O15120 2/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPK1 P28482 1/20 0.36
GLRA3 O75311 1/20 0.36
GLRB P48167 1/20 0.36
KDM4E B2RXH2 3/20 0.35
DYRK3 O43781 1/20 0.35
PIM1 P11309 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 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
SCHEMBL4285060 0.87 DYRK3 (0.36) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL4282568 0.83 ALDH1A1 (0.41) HSD17B10NPSR1AGPAT2ALDH1A1TDP1
SCHEMBL4278353 0.81 AGPAT2 (0.47) NPC1HSD17B10RAB9ANPSR1TSHR
SCHEMBL4287808 0.78 KDM4E (0.39) MAPTNPC1RAB9AAGPAT2ALDH1A1
SCHEMBL4289214 0.78 MAPT (0.42) MAPTNPC1HSD17B10TP53RAB9A
SCHEMBL4280058 0.70 HTR2B (0.39) MAPTTP53TSHRAGPAT2ALDH1A1
SCHEMBL4284231 0.69 AGPAT2 (0.33) MAPTHSD17B10AGPAT2ALDH1A1KDM4E
SCHEMBL4291033 0.68 AGPAT2 (0.43) AGPAT2
SCHEMBL4285021 0.66 SCN2A (0.33) MAPTHSD17B10ALDH1A1MAPK1KDM4E
SCHEMBL4281458 0.65 TMPRSS4 (0.34) ALDH1A1HTR2B

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT MAPT 3707/4885NPC1 1299/4885HSD17B10 2072/4885

“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.