SCHEMBL6882252

SCHEMBL6882252

N#Cc1c(C2CCCCC2)nn(Cc2ccccc2)c1N

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
RAPGEF4 Q8WZA2 1/20 0.44
ADORA1 P30542 9/20 0.44
ADORA3 P0DMS8 3/20 0.44
PIK3CD O00329 2/20 0.42
ADORA2A P29274 2/20 0.42
CYP19A1 P11511 1/20 0.40
ABCC1 P33527 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
CNR2 P34972 1/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL5229548 0.79 PKM (0.37) TSHRRAPGEF4KDM4EALDH1A1MAPK1
SCHEMBL7303767 0.74 TSHR (1.00) TSHRPOLBGAAKDM4EALDH1A1
SCHEMBL6881906 0.73 TSHR (0.68) TSHRADORA1ADORA2APOLBGAA
SCHEMBL31194571 0.72 TSHR (0.70) TSHRPOLBGAAKDM4EALDH1A1
SCHEMBL1813384 0.71 ALDH1A1 (0.36) RAPGEF4POLBGAAKDM4EALDH1A1
SCHEMBL5236933 0.71 ALDH1A1 (0.36) RAPGEF4POLBGAAKDM4EALDH1A1
SCHEMBL30928891 0.70 ADORA1 (0.51) TSHRADORA1ADORA3ADORA2ACYP19A1
SCHEMBL8123177 0.70 TSHR (0.63) TSHRADORA1ADORA2APOLBGAA
SCHEMBL8916000 0.68 TSHR (0.67) TSHRADORA1ADORA2APOLBGAA
SCHEMBL1076537 0.68 TSHR (0.60) TSHRPOLBGAAKDM4EALDH1A1

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-20040241706-A1 Highly specific modulators of GTPases for target validation IRM, LLC 2004-12-02 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 (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-20040241706-A1 Highly specific modulators of GTPases for target validation CDC42, ARHGDIB, ARHGEF2 TSHR 3893/4885RAPGEF4 29/4885ADORA1 4727/4885

“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.