SCHEMBL4946154

SCHEMBL4946154

Cc1cc(-c2nnc(C(C)Sc3nnc(-c4cccnc4)n3C3CC3)o2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MDM2 Q00987 1/20 0.39
TLR9 Q9NR96 3/20 0.38
TLR8 Q9NR97 3/20 0.38
TLR7 Q9NYK1 3/20 0.38
NTRK1 P04629 1/20 0.37
NTRK2 Q16620 1/20 0.37
CYP3A4 P08684 1/20 0.37
POLB P06746 1/20 0.37
APLNR P35414 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP11B2 P19099 2/20 0.36

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
SCHEMBL1544082 0.90 CYP3A4 (0.45) MEN1KMT2ATLR9TLR8TLR7
SCHEMBL4946148 0.85 TLR8 (0.38) MEN1KMT2ATLR9TLR8TLR7
SCHEMBL1545085 0.80 KCNH2 (0.54) ALDH1A1MEN1KMT2ACYP3A4POLB
SCHEMBL1544496 0.73 KCNH2 (0.55) ALDH1A1MEN1KMT2APOLBRAB9A
SCHEMBL1543424 0.73 KMT2A (0.44) HPGDALDH1A1MEN1KMT2ATLR9
Pyridine SCHEMBL1544239 0.73 KCNH2 (0.54) HPGDALDH1A1MEN1KMT2ATLR9
SCHEMBL1544436 0.73 KCNH2 (0.54) ALDH1A1MEN1KMT2ATLR9TLR8
SCHEMBL1543704 0.73 KCNH2 (0.41) HPGDALDH1A1TLR9TLR8TLR7
SCHEMBL1544208 0.73 MEN1 (0.39) ALDH1A1MEN1KMT2ACYP3A4NPSR1
Pyridine SCHEMBL1544776 0.73 KMT2A (0.42) HPGDALDH1A1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456200-B2 Compounds ASTRAZENECA AB (SE) 2008-11-25 US disclosed
US-20060122397-A1 Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain ASTRAZENECA AB (SE) 2006-06-08 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-20060122397-A1 Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain GRM5, GRIK5, GRM1 HPGD 1032/4885ALDH1A1 2602/4885MEN1 4597/4885

“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.