SCHEMBL4986186

SCHEMBL4986186

Nc1ncnc2c1CCN(Cc1ccc3ccccc3c1)C2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
LIMK1 P53667 1/20 0.47
CLPP Q16740 2/20 0.44
MC4R P32245 1/20 0.43
MC5R P33032 1/20 0.43
PTPN1 P18031 2/20 0.43
ACHE P22303 1/20 0.43
PKM P14618 1/20 0.43
PTPN2 P17706 1/20 0.42
CHKA P35790 1/20 0.41
MEN1 O00255 2/20 0.41
DHFR P00374 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL4982960 0.85 LIMK1 (0.61) KMT2ALIMK1MEN1DHFRNPC1
SCHEMBL4989378 0.82 LIMK1 (0.51) KMT2ALIMK1MEN1DHFR
SCHEMBL4984842 0.82 MEN1 (0.48) KMT2ALIMK1CLPPMEN1
SCHEMBL4993341 0.82 MEN1 (0.51) KMT2ALIMK1CLPPMEN1DHFR
SCHEMBL4989472 0.82 LIMK1 (0.42) KMT2ALIMK1MEN1DHFR
SCHEMBL4986729 0.82 ALDH1A1 (0.49) KMT2ALIMK1MEN1
SCHEMBL4992362 0.81 LIMK1 (0.48) KMT2ALIMK1MEN1
SCHEMBL4986127 0.81 LIMK1 (0.47) LIMK1CLPP
SCHEMBL4988843 0.81 ALDH1A1 (0.47) KMT2ALIMK1CLPPMEN1
SCHEMBL4986172 0.81 SMN1; SMN2 (0.47) KMT2ALIMK1CLPPMEN1DHFR

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 KMT2A 4614/4885LIMK1 1960/4885CLPP 1470/4885

“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.