SCHEMBL4050295

SCHEMBL4050295

Cc1nc(-c2ccc(CCl)cc2)cs1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.56
RAB9A P51151 6/20 0.53
KDM4E B2RXH2 4/20 0.53
POLB P06746 2/20 0.53
HTT P42858 1/20 0.53
ALDH1A1 P00352 5/20 0.51
HPGD P15428 2/20 0.51
MAPT P10636 1/20 0.51
RECQL P46063 1/20 0.51
ESR2 Q92731 1/20 0.51
NPC1 O15118 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LTA4H P09960 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PRMT6 Q96LA8 1/20 0.48

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
SCHEMBL10697351 0.86 GAA (0.53) GAARAB9AKDM4EPOLBHTT
Bromide SCHEMBL9519187 0.85 RAB9A (0.53) GAARAB9AKDM4EPOLBHTT
SCHEMBL12297161 0.84 GAA (0.57) GAARAB9AKDM4EPOLBHTT
SCHEMBL15384510 0.84 GAA (0.57) GAARAB9AKDM4EPOLBHTT
SCHEMBL507232 0.82 GAA (0.56) GAARAB9AKDM4EPOLBHTT
SCHEMBL17440110 0.82 RAB9A (0.57) GAARAB9AKDM4EPOLBHTT
Bromide SCHEMBL9132782 0.81 RAB9A (0.49) GAARAB9AKDM4EPOLBHTT
SCHEMBL19626741 0.81 GAA (0.54) GAARAB9AKDM4EPOLBHTT
SCHEMBL2405184 0.79 RAB9A (0.71) GAARAB9AKDM4EPOLBHTT
SCHEMBL20781893 0.79 GAA (0.53) GAARAB9AKDM4EPOLBHTT

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-20160016907-A1 PYRIDINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS PFIZER INC. (US) 2016-01-21 US disclosed
WO-2016009297-A1 PYRIDINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS PFIZER INC. (US) 2016-01-21 WO disclosed
WO-2009111501-A1 DERIVATIVES OF IMIDAZO [4, 5-D] PYRIDAZINE AND THEIR USE AS ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-09-11 WO disclosed
US-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-09-10 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-20160016907-A1 PYRIDINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CHRM2, CHRM4 GAA 3566/4885RAB9A 1511/4885KDM4E 1272/4885
US-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE MAVS, SARS1, HAVCR2 GAA 109/4885RAB9A 1850/4885KDM4E 3438/4885

“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.