SCHEMBL4286975

SCHEMBL4286975

Nc1nc(Cl)cc(-c2cc(Br)ccc2OCCN2CCOCC2)n1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.70
HSP90AB1 P08238 1/20 0.70
ADCY10 Q96PN6 5/20 0.57
ALDH1A1 P00352 2/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54
BCHE P06276 1/20 0.46
MAOA P21397 1/20 0.46
ACHE P22303 1/20 0.46
MAOB P27338 1/20 0.46
TSHR P16473 2/20 0.46
AGPAT2 O15120 1/20 0.43
KMO O15229 3/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL13880327 0.84 AGPAT2 (0.67) HSP90AA1HSP90AB1AGPAT2
SCHEMBL3944554 0.82 HSP90AB1 (1.00) HSP90AA1HSP90AB1ADCY10ALDH1A1MAPT
SCHEMBL4282248 0.79 AGPAT2 (0.55) HSP90AA1HSP90AB1ALDH1A1MAPTAGPAT2
SCHEMBL4277599 0.78 AGPAT2 (0.54) HSP90AA1HSP90AB1AGPAT2
SCHEMBL4291022 0.78 AGPAT2 (0.52) HSP90AA1HSP90AB1AGPAT2
SCHEMBL3951667 0.77 ADCY10 (0.63) HSP90AA1HSP90AB1ADCY10BCHEMAOA
SCHEMBL4282695 0.77 AGPAT2 (0.67) HSP90AA1HSP90AB1AGPAT2
SCHEMBL4289149 0.76 AGPAT2 (0.53) HSP90AA1HSP90AB1AGPAT2
SCHEMBL13957869 0.76 ALDH1A1 (0.62) ALDH1A1MAPTHTTTSHRKDM4E
SCHEMBL4277513 0.75 AGPAT2 (0.49) HSP90AA1HSP90AB1ALDH1A1AGPAT2KDM4E

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 HSP90AA1 4126/4885HSP90AB1 4236/4885ADCY10 1194/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT HSP90AA1 4006/4885HSP90AB1 3829/4885ADCY10 1120/4885

“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.