SCHEMBL4941967

SCHEMBL4941967

CCn1c(SCN2C=C(c3ccnc(C)c3)ON2)nnc1-c1ccco1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPK1 P28482 2/20 0.47
TSHR P16473 6/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 10/20 0.46
PKM P14618 2/20 0.46
POLB P06746 3/20 0.45
LMNA P02545 2/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HPGD P15428 2/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
USP2 O75604 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
SCHEMBL4946194 0.87 HDAC2 (0.49) KMT2ATSHRALDH1A1LMNAHSD17B10
SCHEMBL4939468 0.85 TSHR (0.47) KMT2AMAPK1TSHRMAPTALDH1A1
SCHEMBL4938300 0.84 MAPT (0.46) MEN1KMT2ATSHRMAPTALDH1A1
SCHEMBL4940240 0.81 HDAC2 (0.33) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL4944569 0.81 ALDH1A1 (0.43) MEN1KMT2ATSHRMAPTALDH1A1
SCHEMBL4946813 0.78 MAPT (0.42) MEN1KMT2ATSHRMAPTALDH1A1
SCHEMBL4941811 0.77 ALDH1A1 (0.45) MEN1KMT2ATSHRMAPTALDH1A1
SCHEMBL4941963 0.76 KDM4E (0.35) MEN1KMT2AMAPK1TSHRMAPT
SCHEMBL5489367 0.76 TSHR (0.49) KMT2AMAPK1TSHRMAPTALDH1A1
SCHEMBL1544435 0.75 ALDH1A1 (0.56) MEN1KMT2AMAPK1TSHRMAPT

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 MEN1 3215/4885KMT2A 1915/4885MAPK1 2047/4885
US-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 MEN1 3387/4885KMT2A 2030/4885MAPK1 2053/4885

“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.