SCHEMBL4946194

SCHEMBL4946194

CCn1c(SCN2C=C(c3ccnc(C)c3)ON2)nnc1-c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 4/20 0.49
PTK2 Q05397 1/20 0.49
KMT2A Q03164 2/20 0.48
HDAC1 Q13547 1/20 0.47
ALDH1A1 P00352 3/20 0.47
TP53 P04637 1/20 0.47
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
ATM Q13315 1/20 0.45
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 2/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL4939468 0.88 TSHR (0.47) KMT2AALDH1A1TP53LMNAHPGD
SCHEMBL4941967 0.87 MEN1 (0.47) KMT2AALDH1A1TP53LMNAHPGD
SCHEMBL4940240 0.85 HDAC2 (0.33) HDAC2PTK2KMT2AHDAC1ALDH1A1
SCHEMBL5489367 0.79 TSHR (0.49) KMT2AALDH1A1TP53LMNAHPGD
SCHEMBL4946042 0.78 MAPT (0.45) ALDH1A1TP53LMNAHPGDATM
SCHEMBL4946020 0.78 KMT2A (0.48) HDAC2PTK2KMT2AHDAC1ALDH1A1
SCHEMBL5485303 0.76 DRD2 (0.41) KMT2AALDH1A1TP53LMNARAB9A
SCHEMBL5476025 0.76 KMT2A (0.45) HDAC2PTK2KMT2AALDH1A1LMNA
SCHEMBL4946188 0.74 KMT2A (0.33) HDAC2PTK2KMT2AALDH1A1TP53
SCHEMBL1544200 0.73 CYP3A4 (0.58) HDAC2PTK2KMT2AHDAC1ALDH1A1

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 HDAC2 963/4885PTK2 2613/4885KMT2A 2030/4885

“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.