SCHEMBL5016784

SCHEMBL5016784

CC(C)(C(=O)Nc1ncnc2c1CCN(Cc1ccccc1F)C2)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
NPY2R P49146 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
HTT P42858 1/20 0.35
MAPK1 P28482 3/20 0.34
NTRK1 P04629 1/20 0.34
SMARCA4 P51532 1/20 0.34
PBRM1 Q86U86 1/20 0.34
CLPP Q16740 1/20 0.34
RIPK1 Q13546 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CARM1 Q86X55 1/20 0.33
ACHE P22303 1/20 0.33
MAOB P27338 1/20 0.33
GRM2 Q14416 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL5141473 0.91 TSHR (0.41) TSHRCLPPKDM4EALDH1A1COMT
SCHEMBL4991957 0.90 TSHR (0.38) TSHRNTRK1ALDH1A1GRM2
SCHEMBL4985252 0.90 KMT2A (0.39) TSHRKMT2AMEN1MAPK1CLPP
SCHEMBL4985286 0.88 KMT2A (0.43) TSHRKMT2AMEN1HTTMAPK1
SCHEMBL4986944 0.86 TSHR (0.42) TSHRNPY2RKMT2AMEN1HTT
SCHEMBL4985443 0.85 P2RX7 (0.42) TSHRKMT2AMEN1KDM4EALDH1A1
SCHEMBL14272259 0.83 P2RX7 (0.40) TSHRSMARCA4PBRM1
SCHEMBL4991392 0.82 EPHX2 (0.40) TSHR
SCHEMBL4989594 0.79 KMT2A (0.40) TSHRKMT2AMEN1HTTALDH1A1
SCHEMBL4991892 0.79 P2RX7 (0.39) TSHR

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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US claimed
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US claimed

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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 TSHR 3850/4885NPY2R 913/4885KMT2A 4614/4885

“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.