SCHEMBL4281846

SCHEMBL4281846

NC1=NC=CC(N)(c2ccc(Cl)cc2)N1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CTSD P07339 1/20 0.31
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31
KDM1A O60341 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
SCHEMBL4286564 0.83 NPY5R (0.32) BACE1MAOAMAOB
SCHEMBL2846014 0.82 BACE1 (0.37) BACE1BACE2MAOAMAOBKDM1A
SCHEMBL4282740 0.74
SCHEMBL2911025 0.74 MAPT (0.40) KDM4ENPC1RAB9A
SCHEMBL4284969 0.73 TAAR1 (0.35)
SCHEMBL4277498 0.70 MAPT (0.46) KDM4ERAB9AMAOAMAOB
SCHEMBL4280084 0.66 CYP1A2 (0.35) KDM4ECTSDBACE1BACE2KDM1A
SCHEMBL3990101 0.66 KDM4E (0.51) KDM4E
SCHEMBL5375847 0.66 MAOA (0.34) CTSDBACE1BACE2MAOAMAOB
SCHEMBL3667278 0.65

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 DRD2 4534/4885KDM4E 1842/4885NPC1 1406/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT DRD2 4516/4885KDM4E 2160/4885NPC1 1299/4885

“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.