SCHEMBL4985252

SCHEMBL4985252

CC(C)(C(=O)Nc1ncnc2c1CCN(Cc1ccccc1Cl)C2)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 1/20 0.39
TP53 P04637 1/20 0.36
CLPP Q16740 1/20 0.35
FAAH O00519 1/20 0.35
C5AR1 P21730 1/20 0.35
TRPC5 Q9UL62 2/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 1/20 0.34
P2RX7 Q99572 3/20 0.34
BRS3 P32247 1/20 0.34
ALDH1A1 P00352 2/20 0.34
USP2 O75604 1/20 0.34
ABCB11 O95342 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADRA2A P08913 1/20 0.34

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) NPSR1TSHRTP53CLPPFAAH
SCHEMBL5016784 0.90 TSHR (0.39) KMT2AMEN1TSHRCLPPALDH1A1
SCHEMBL4985286 0.90 KMT2A (0.43) KMT2AMEN1TSHRRAB9ABRS3
SCHEMBL4988478 0.85 P2RX7 (0.50) KMT2AMEN1NPSR1TSHRP2RX7
SCHEMBL4986944 0.85 TSHR (0.42) KMT2AMEN1TSHRTP53RAB9A
SCHEMBL4991957 0.84 TSHR (0.38) TSHRALDH1A1CYP2D6
SCHEMBL4989247 0.82 P2RX7 (0.54) P2RX7
SCHEMBL4991892 0.81 P2RX7 (0.39) TSHRP2RX7GAA
SCHEMBL14272258 0.79 TSHR (0.41) TSHRSIGMAR1SMN1; SMN2
SCHEMBL4989569 0.79 ALDH1A1 (0.40) KMT2AMEN1TP53RAB9AMAPT

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 4 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
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US disclosed
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 KMT2A 4614/4885MEN1 4853/4885NPSR1 326/4885

“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.