SCHEMBL4943994

SCHEMBL4943994

Cc1cc(N2NC=C(CSc3nnc(-c4ccncc4)n3C3CC3)O2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.49
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 2/20 0.42
RXFP1 Q9HBX9 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
TSHR P16473 2/20 0.38
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
NPSR1 Q6W5P4 3/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ATM Q13315 1/20 0.34

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 0.84 KMT2A (0.50) CYP3A4KMT2AMEN1TDP1TSHR
SCHEMBL4943990 0.76 CYP3A4 (0.33) CYP3A4RXFP1
SCHEMBL1543780 0.75 MEN1 (0.68) CYP3A4KMT2AMEN1GAARXFP1
SCHEMBL4944624 0.73 RAB9A (0.53) KMT2AMEN1TSHRNPSR1MAPT
SCHEMBL22019056 0.72 GAA (0.60) CYP3A4KMT2AMEN1GAARXFP1
SCHEMBL1545226 0.67 CYP3A4 (0.71) CYP3A4KMT2AMEN1GAARXFP1
SCHEMBL1545115 0.66 GAA (0.54) CYP3A4KMT2AMEN1GAARXFP1
SCHEMBL11511399 0.66 GAA (0.55) CYP3A4KMT2AMEN1GAARXFP1
SCHEMBL1544601 0.66 CYP3A4 (1.00) CYP3A4KMT2AMEN1GAARXFP1
SCHEMBL2895597 0.65 CYP3A4 (0.49) CYP3A4KMT2AMEN1GAARXFP1

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-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20070179188-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-02 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 (2 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-20070179188-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 CYP3A4 4116/4885KMT2A 1915/4885MEN1 3215/4885
US-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 CYP3A4 4080/4885KMT2A 2030/4885MEN1 3387/4885

“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.