SCHEMBL4987940

SCHEMBL4987940

Nc1ncnc2c1CCN(Cc1ccc(OC(F)(F)F)cc1)C2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
LIMK1 P53667 1/20 0.43
TNF P01375 1/20 0.42
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42
TEAD1 P28347 2/20 0.40
HTR2C P28335 1/20 0.40
P2RY1 P47900 3/20 0.40
PDE2A O00408 1/20 0.39
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
BACE1 P56817 2/20 0.39
DRD4 P21917 1/20 0.39
ACACB O00763 1/20 0.39
CSF1R P07333 1/20 0.38
LMNA P02545 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL4993434 0.87 GPR52 (0.44) LIMK1DRD4
SCHEMBL4985337 0.85 DHFR (0.52) LIMK1DRD4KCNH2
SCHEMBL4983036 0.85 RPS6KB1 (0.49) ALDH1A1LIMK1DRD4
SCHEMBL4990763 0.84 LIMK1 (0.43) LIMK1PDE2A
SCHEMBL4986800 0.84 KDM4E (0.44) TSHRLIMK1TNFNOD2NOD1
SCHEMBL4988556 0.83 LIMK1 (0.47) ALDH1A1LIMK1DRD4KCNH2
SCHEMBL4989378 0.83 LIMK1 (0.51) ALDH1A1LIMK1
SCHEMBL4980826 0.82 HRH3 (0.47) LIMK1DRD4
SCHEMBL4992362 0.82 LIMK1 (0.48) ALDH1A1LIMK1DRD4KCNH2
SCHEMBL4989371 0.81 LIMK1 (0.47) ALDH1A1LIMK1DRD4LMNA

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 ALDH1A1 3640/4885TSHR 3850/4885LIMK1 1960/4885

“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.