SCHEMBL4179630

SCHEMBL4179630

COC(=O)c1ccc(-c2nn(-c3ccccc3)c(N)c2-c2ccc(C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.54
SMN1; SMN2 Q16637 5/20 0.52
MAPT P10636 5/20 0.52
TP53 P04637 4/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
SRC P12931 3/20 0.50
BRAF P15056 3/20 0.50
KDR P35968 3/20 0.50
POLB P06746 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL13890465 0.78 SRC (0.54) HPGDSMN1; SMN2MAPTTP53NPC1
SCHEMBL4190133 0.75 MAPT (0.58) HPGDSMN1; SMN2MAPTTP53NPC1
SCHEMBL8356085 0.75 SRC (0.74) HPGDSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL10542264 0.75 NPC1 (0.69) HPGDSMN1; SMN2MAPTTP53NPC1
SCHEMBL20218052 0.74 HPGD (0.45) HPGDSMN1; SMN2MAPTTP53NPC1
SCHEMBL6582065 0.73 RAB9A (0.66) HPGDSMN1; SMN2MAPTTP53NPC1
SCHEMBL1310632 0.72 KMT2A (0.50) HPGDSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL12264903 0.71 KMT2A (0.62) HPGDMAPTTP53NPC1RAB9A
SCHEMBL23401519 0.71 CCNA2 (0.50) SMN1; SMN2MAPTNPC1RAB9ASRC
SCHEMBL17111886 0.71 HPGD (0.55) HPGDSMN1; SMN2MAPTTP53NPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071782-B2 Synthesis of 1,3,4-trisubstituted and 1,3,4,5-tetrasubstituted pyrazoles JANSSEN PHARMACEUTICA NV (BE) 2011-12-06 US disclosed
US-8071782-B2 Synthesis of 1,3,4-trisubstituted and 1,3,4,5-tetrasubstituted pyrazoles JANSSEN PHARMACEUTICA NV (BE) 2011-12-06 US disclosed
US-8071782-B2 Synthesis of 1,3,4-trisubstituted and 1,3,4,5-tetrasubstituted pyrazoles JANSSEN PHARMACEUTICA NV (BE) 2011-12-06 US disclosed
US-20090093637-A1 Synthesis of 1,3,4-Trisubstituted and 1,3,4,5-Tetrasubstituted Pyrazoles JANSSEN PHARMACEUTICA NV (BE) 2009-04-09 US disclosed
US-20090093637-A1 Synthesis of 1,3,4-Trisubstituted and 1,3,4,5-Tetrasubstituted Pyrazoles JANSSEN PHARMACEUTICA NV (BE) 2009-04-09 US disclosed
US-20090093637-A1 Synthesis of 1,3,4-Trisubstituted and 1,3,4,5-Tetrasubstituted Pyrazoles JANSSEN PHARMACEUTICA NV (BE) 2009-04-09 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 (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-20090093637-A1 Synthesis of 1,3,4-Trisubstituted and 1,3,4,5-Tetrasubstituted Pyrazoles CYP3A4, CYP4B1, CYP2E1 HPGD 353/4885SMN1; SMN2 4224/4885MAPT 1343/4885

“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.