SCHEMBL4944624

SCHEMBL4944624

Cc1cc(N2NC=C(CSc3nnc(-c4ccco4)n3C)O2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 9/20 0.52
PKM P14618 1/20 0.52
MAPT P10636 4/20 0.48
TSHR P16473 3/20 0.48
USP2 O75604 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.45
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL4945225 0.76 KMT2A (0.50) SMN1; SMN2ALDH1A1TSHRHPGDLMNA
SCHEMBL4944614 0.74 KDM4E (0.34) RAB9ASMN1; SMN2ALDH1A1PKMMAPT
SCHEMBL4943994 0.73 CYP3A4 (0.49) SMN1; SMN2ALDH1A1MAPTTSHRLMNA
SCHEMBL1544456 0.72 SMN1; SMN2 (0.55) RAB9ASMN1; SMN2ALDH1A1PKMMAPT
SCHEMBL17712783 0.67 RAB9A (0.63) RAB9ASMN1; SMN2ALDH1A1PKMMAPT
SCHEMBL4944242 0.66 NPC1 (0.33) RAB9AMAPTHPGDHSD17B10LMNA
SCHEMBL4946170 0.65 MEN1 (0.36) RAB9ASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL1543755 0.64 CYP3A4 (0.59) RAB9ASMN1; SMN2ALDH1A1PKMMAPT
SCHEMBL5482811 0.64 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1PKMMAPTTSHR
SCHEMBL4944606 0.62 RAB9A (0.41) RAB9ASMN1; SMN2ALDH1A1PKMMAPT

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-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-02-21 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-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 RAB9A 1926/4885SMN1; SMN2 1409/4885ALDH1A1 3875/4885

“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.