SCHEMBL4026476

SCHEMBL4026476

C#Cc1ccc(CNCc2ccc(Cl)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PYCR1 P32322 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
BCHE P06276 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL666165 0.89 PYCR1 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL415949 0.82 CHRM2 (0.67) CHRM2ALDH1A1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL7695180 0.80 CHRM2 (0.64) CHRM2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6396768 0.80 LOXL2 (0.59) CHRM2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL166276 0.80
SCHEMBL25279150 0.78 HDAC8 (0.56) ALDH1A1SMN1; SMN2GAAKDM4EPYCR1
Hydrochloric Acid SCHEMBL9479829 0.78 CHRM2 (0.61) CHRM2ALDH1A1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL28636364 0.78 LMNA (0.47) PYCR1CA12CA1CA2CA4
Bromide SCHEMBL31124594 0.78 LMNA (0.47) PYCR1CA12CA1CA2CA4
SCHEMBL28682890 0.78 PYCR1 (0.66) CHRM2ALDH1A1SMN1; SMN2MEN1KMT2A

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
WO-2009102937-A1 PROCESSES FOR THE PREPARATION OF CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2009-08-20 WO claimed
WO-2009102937-A1 PROCESSES FOR THE PREPARATION OF CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2009-08-20 WO disclosed
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-21 US disclosed
WO-2008100618-A2 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 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-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ CHRM2 3164/4885ALDH1A1 4404/4885SMN1; SMN2 4487/4885

“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.