SCHEMBL4285039

SCHEMBL4285039

COc1ccc(Cl)cc1C=N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
KMT2A Q03164 4/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 3/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 2/20 0.43
ATM Q13315 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 4/20 0.42
ERN1 O75460 2/20 0.42
TRPV4 Q9HBA0 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TTR P02766 1/20 0.41
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40

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
SCHEMBL10401197 0.82 KDM4E (0.49) KDM4EKMT2AMAPTHPGDTSHR
SCHEMBL29956352 0.80 ERN1 (0.58) KDM4EKMT2AMAPTHPGDTSHR
SCHEMBL16953295 0.80 KDM4E (0.51) KDM4EKMT2AMAPTHPGDTSHR
SCHEMBL16957006 0.80 KDM4E (0.48) KDM4EKMT2AMAPTHPGDTSHR
SCHEMBL95806 0.80 ERN1 (0.58) KDM4EKMT2AMAPTHPGDTSHR
SCHEMBL24495458 0.79 HPGD (0.69) KDM4EKMT2AMAPTHPGDTSHR
SCHEMBL29687081 0.79 HPGD (0.69) KDM4EKMT2AMAPTHPGDTSHR
SCHEMBL2447953 0.79 HPGD (0.69) KDM4EKMT2AMAPTHPGDTSHR
SCHEMBL2447956 0.79 HPGD (0.69) KDM4EKMT2AMAPTHPGDTSHR
SCHEMBL12352545 0.78 HMGCR (0.57) KDM4EKMT2AMAPTHPGDTSHR

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-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 KDM4E 1842/4885KMT2A 521/4885MAPT 3800/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT KDM4E 2160/4885KMT2A 588/4885MAPT 3707/4885

“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.