SCHEMBL4289214

SCHEMBL4289214

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
NPC1 O15118 3/20 0.42
TP53 P04637 3/20 0.42
HSD17B10 Q99714 3/20 0.42
RAB9A P51151 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
MAPK1 P28482 1/20 0.35
GLRA3 O75311 1/20 0.35
GLRB P48167 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 3/20 0.35
STK10 O94804 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
SCHEMBL4285066 0.87 DYRK3 (0.35) MAPTNPC1RAB9AALDH1A1CYP1A2
SCHEMBL4282572 0.84 AGPAT2 (0.41) HSD17B10NPSR1ALDH1A1TDP1KDM4E
SCHEMBL4278355 0.82 AGPAT2 (0.46) HSD17B10NPSR1ALDH1A1TDP1KDM4E
SCHEMBL4289207 0.78 MAPT (0.43) MAPTNPC1TP53HSD17B10RAB9A
SCHEMBL4287813 0.77 ALDH1A1 (0.38) NPC1RAB9AALDH1A1GLRA3GLRB
SCHEMBL4280064 0.71 HTR2B (0.38) TP53RAB9ATSHRALDH1A1KDM4E
SCHEMBL4284234 0.70 AGPAT2 (0.34) MAPTHSD17B10ALDH1A1CYP1A2CYP3A4
SCHEMBL4282527 0.68 HSP90AA1 (0.34) MAPTNPC1TP53HSD17B10RAB9A
SCHEMBL4282151 0.68 AGPAT2 (0.33) MAPTAGPAT2
SCHEMBL4281460 0.66 TMPRSS4 (0.34) HTR2B

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 1299/4885TP53 1268/4885

“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.