SCHEMBL4284231

SCHEMBL4284231

NC1=NC(N)(c2ccc(Cl)cc2)C=C(c2cc(Cl)ccc2OCC(F)(F)F)N1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 3/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
THRB P10828 1/20 0.33
G6PD P11413 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TNNI3K Q59H18 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL4284182 0.85 HRH4 (0.34) AGPAT2MEN1MAPTKMT2AKDM4E
SCHEMBL4282568 0.78 ALDH1A1 (0.41) AGPAT2MEN1KMT2AKDM4EUSP2
SCHEMBL4280058 0.78 HTR2B (0.39) AGPAT2MAPTALDH1A1HTR2AHTR2C
SCHEMBL4278353 0.76 AGPAT2 (0.47) AGPAT2KDM4EUSP2ALDH1A1HSD17B10
SCHEMBL4284234 0.76 AGPAT2 (0.34) AGPAT2PTGDR2MEN1MAPTKMT2A
SCHEMBL4282261 0.75 HSD11B1 (0.39) L3MBTL1
SCHEMBL4281458 0.75 TMPRSS4 (0.34) MEN1KMT2AALDH1A1SLC6A4HTR2B
SCHEMBL4285021 0.73 SCN2A (0.33) MAPTKDM4EALDH1A1HSD17B10HTR2B
SCHEMBL4285195 0.71 HTR2B (0.35) AGPAT2ALDH1A1HTR2B
SCHEMBL4287808 0.71 KDM4E (0.39) AGPAT2MEN1MAPTKMT2AKDM4E

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 AGPAT2 100/4885PTGDR2 2302/4885MEN1 3158/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT AGPAT2 94/4885PTGDR2 2281/4885MEN1 3425/4885

“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.