SCHEMBL23085138

SCHEMBL23085138

C=C/C(=C\C=C/C)CNc1nc(-c2ccccn2)c(Cl)s1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
SLC2A1 P11166 1/20 0.33
KDM4E B2RXH2 3/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HIF1A Q16665 1/20 0.33
MAPK14 Q16539 3/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
ALDH1A1 P00352 3/20 0.30
PTGS2 P35354 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
APOBEC3G Q9HC16 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
SCHEMBL1017978 0.70 KMT2A (0.51) KDM4ELMNASMN1; SMN2HIF1AALDH1A1
SCHEMBL16137403 0.64 NPC1 (0.60) SLC2A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL8264704 0.63 NPY5R (0.36) SMN1; SMN2HIF1AMAPK14ADORA2AADORA1
SCHEMBL5174953 0.62 KCNN1 (0.61) SLC2A1KDM4E
SCHEMBL21567216 0.62 MEN1 (0.41) HTTADORA2AADORA1
SCHEMBL18434306 0.61 CXCR4 (0.45) KDM4EALDH1A1MAPT
SCHEMBL24247660 0.60 MEN1 (0.39) KDM4EALDH1A1MAPTTDP1
SCHEMBL18230278 0.60 TRPV1 (0.57) LMNAHTTSMN1; SMN2ADORA2AADORA1
SCHEMBL18434644 0.59 CXCR4 (0.42) KDM4EALDH1A1MAPT
SCHEMBL17722829 0.59 TLR4 (0.39) KDM4ELMNAHTTSMN1; SMN2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2021-03-11 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-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO CCNA2 1637/4885CDK2 338/4885SLC2A1 4823/4885

“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.