SCHEMBL4282928

SCHEMBL4282928

COc1ccc(Cl)cc1-c1cc(Nc2ccc3cn[nH]c3c2)nc(C)n1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 14/20 0.80
IGF1R P08069 1/20 0.48
RET P07949 1/20 0.45
KDR P35968 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAOB P27338 1/20 0.45
PKM P14618 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL13880150 0.89 AGPAT2 (1.00) AGPAT2MAPT
SCHEMBL4287579 0.88 AGPAT2 (0.62) AGPAT2MEN1KMT2AKDM4EALDH1A1
SCHEMBL25039648 0.84 AGPAT2 (0.58) AGPAT2RETMAPT
SCHEMBL4286837 0.83 AGPAT2 (0.75) AGPAT2MAPT
SCHEMBL4286028 0.81 AGPAT2 (1.00) AGPAT2IGF1RMAOBKDM4EALDH1A1
SCHEMBL13880193 0.81 AGPAT2 (1.00) AGPAT2IGF1RRETKDRMEN1
SCHEMBL4281775 0.79 AGPAT2 (0.77) AGPAT2MAPT
SCHEMBL13880217 0.79 AGPAT2 (1.00) AGPAT2
SCHEMBL13880181 0.78 AGPAT2 (0.78) AGPAT2
SCHEMBL13880220 0.76 AGPAT2 (0.68) AGPAT2IGF1RRETKDRMEN1

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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 US disclosed
WO-2020080979-A1 PFKFB3 INHIBITORS AND THEIR USES GERO DISCOVERY LIMITED LIABILITY COMPANY (RU) 2020-04-23 WO 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 (3 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 100/4885IGF1R 3830/4885RET 2970/4885
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 AGPAT2 929/4885IGF1R 474/4885RET 2126/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT AGPAT2 94/4885IGF1R 3544/4885RET 2953/4885

“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.