SCHEMBL4947514

SCHEMBL4947514

CCn1c(SCN2C=C(c3cccc(C#N)c3)ON2)nnc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.38
ALOX12 P18054 1/20 0.38
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 2/20 0.33
ALOX15 P16050 1/20 0.33
NOTUM Q6P988 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CRHBP P24387 1/20 0.32
CYP2C19 P33261 1/20 0.32
CRHR2 Q13324 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
DRD2 P14416 2/20 0.32
DRD3 P35462 2/20 0.32
S1PR1 P21453 1/20 0.32

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
SCHEMBL4945626 0.90 ALOX12 (0.45) TSHRALOX12MAPTMEN1KMT2A
SCHEMBL4938300 0.82 MAPT (0.46) TSHRMAPTMEN1KMT2ALMNA
SCHEMBL4945592 0.82 TSHR (0.45) TSHRMAPTKMT2ALMNACYP1A2
SCHEMBL4940455 0.76 ALOX12 (0.53) TSHRALOX12MAPTMEN1KMT2A
SCHEMBL1543923 0.75 TSHR (0.43) TSHRALOX12MAPTMEN1KMT2A
SCHEMBL4941138 0.75 ALOX12 (0.52) TSHRALOX12MAPTLMNAALDH1A1
SCHEMBL4946824 0.74 ALOX12 (0.51) ALOX12MAPTMEN1KMT2ALMNA
SCHEMBL4947630 0.74 ALOX12 (0.48) TSHRALOX12MAPTMEN1KMT2A
SCHEMBL4944569 0.74 ALDH1A1 (0.43) TSHRMAPTMEN1KMT2ALMNA
SCHEMBL4944871 0.72 GAA (0.44) TSHRALOX12MAPTMEN1KMT2A

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 TSHR 895/4885ALOX12 2231/4885MAPT 780/4885

“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.