SCHEMBL4258600

SCHEMBL4258600

Cc1nc(Cl)cc(CN)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
HSP90AB1 P08238 1/20 0.35
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.33
KDM4E B2RXH2 2/20 0.32
LOX P28300 1/20 0.32
LOXL3 P58215 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
NOTUM Q6P988 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL20840575 0.82 ALDH1A1 (0.50) ALDH1A1HSP90AB1KMT2AMEN1KDM4E
SCHEMBL29770781 0.80 ALDH1A1 (0.49) ALDH1A1HSP90AB1KMT2AMEN1KDM4E
SCHEMBL2632832 0.80 ALDH1A1 (0.49) ALDH1A1HSP90AB1KMT2AMEN1KDM4E
SCHEMBL609982 0.78 ALDH1A1 (0.47) ALDH1A1HSP90AB1KMT2AMEN1KDM4E
SCHEMBL18068190 0.77 HSP90AB1 (0.37) ALDH1A1HSP90AB1KMT2AKDM4ELOX
SCHEMBL4915807 0.77 SLC6A3 (0.41) ALDH1A1LOXL2GAANPC1RAB9A
SCHEMBL18971574 0.77 ALDH1A1 (0.46) ALDH1A1HSP90AB1KMT2AMEN1KDM4E
SCHEMBL3802657 0.77 ALDH1A1 (0.46) ALDH1A1KDM4ERAB9AHTTMAPT
SCHEMBL7420125 0.76 HSP90AB1 (0.58) HSP90AB1KMT2AMEN1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL4918186 0.76 SLC6A3 (0.40) ALDH1A1KMT2AMEN1LOXL2GAA

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-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 US disclosed
EP-1730122-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-12-13 EP disclosed
WO-2005095357-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-10-13 WO 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 (1 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-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF GPR119, HCRTR2, MCHR1 ALDH1A1 765/4885HSP90AB1 3847/4885KMT2A 857/4885

“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.