SCHEMBL4281843

SCHEMBL4281843

NC1=NC(N)(c2ccc(Cl)cc2)C=CN1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
BACE1 P56817 2/20 0.34
CTSD P07339 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31
KDM1A O60341 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR2B P41595 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
SCHEMBL2846013 0.84 BACE1 (0.42) BACE1BACE2MAOAMAOBLMNA
SCHEMBL4292713 0.83 TAAR1 (0.35) KDM4ERAB9AALDH1A1
SCHEMBL4278345 0.79 MAOA (0.37) MAOAMAOBKDM1A
SCHEMBL3301272 0.75 BACE1 (0.39) BACE1
SCHEMBL4286812 0.70 MAPT (0.46) KDM4ERAB9AMAOAMAOBALDH1A1
SCHEMBL4280600 0.68 BACE1 (0.35) BACE1
SCHEMBL5375845 0.68 MAOA (0.32) MAOAMAOBKDM1A
SCHEMBL4280081 0.68 CYP1A2 (0.37) KDM4EBACE1CTSDBACE2KDM1A
SCHEMBL3534800 0.67
SCHEMBL4280058 0.65 HTR2B (0.39) BACE1ALDH1A1LMNAMAPTSMN1; SMN2

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 KDM4E 1842/4885NPC1 1406/4885RAB9A 3622/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT KDM4E 2160/4885NPC1 1299/4885RAB9A 3559/4885

“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.