SCHEMBL670049

SCHEMBL670049

CCCCCC(Cn1cnc2ccccc21)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.62
FDPS P14324 2/20 0.50
GGPS1 O95749 1/20 0.50
MAPT P10636 3/20 0.49
POLB P06746 2/20 0.49
EGLN3 Q9H6Z9 1/20 0.49
ASAH1 Q13510 1/20 0.47
AGER Q15109 6/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL4064248 0.85 APAF1 (0.70) APAF1FDPSGGPS1MAPTPOLB
SCHEMBL27659956 0.81 AGER (0.56) APAF1FDPSGGPS1MAPTPOLB
SCHEMBL28879025 0.80 APAF1 (0.51) APAF1FDPSGGPS1MAPTPOLB
SCHEMBL1992186 0.80 APAF1 (0.51) APAF1FDPSGGPS1MAPTPOLB
SCHEMBL8177049 0.78 APAF1 (0.49) APAF1FDPSGGPS1MAPTPOLB
SCHEMBL2446284 0.77 APAF1 (1.00) APAF1FDPSGGPS1MAPTPOLB
SCHEMBL668253 0.76 ASAH1 (0.51) APAF1EGLN3ASAH1LMNAHSD17B10
SCHEMBL3796568 0.75 APAF1 (0.67) APAF1FDPSGGPS1MAPTPOLB
SCHEMBL31469863 0.75 APAF1 (0.62) APAF1FDPSGGPS1MAPTPOLB
SCHEMBL22189059 0.75 APAF1 (0.51) APAF1FDPSGGPS1MAPTPOLB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
EP-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP disclosed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO disclosed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 EP 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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB APAF1 914/4885FDPS 2994/4885GGPS1 1489/4885

“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.