SCHEMBL2276835

SCHEMBL2276835

CCOC(=O)c1cn(C)c2cc(CN(c3ncc[nH]3)C(c3ccccc3)(c3ccccc3)c3ccccc3)ccc2c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.40
PIM1 P11309 1/20 0.39
IRAK1 P51617 1/20 0.39
CAMK2B Q13554 1/20 0.39
CAMK2G Q13555 1/20 0.39
CAMK2D Q13557 1/20 0.39
PIM3 Q86V86 1/20 0.39
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRB1 P18505 1/20 0.38
GABRA3 P34903 1/20 0.38
ROCK2 O75116 1/20 0.36
CDK1 P06493 1/20 0.36
PRKACA P17612 1/20 0.36
CDK2 P24941 1/20 0.36
CSNK1D P48730 1/20 0.36
GSK3A P49840 1/20 0.36
CDK5 Q00535 1/20 0.36
PRKCD Q05655 1/20 0.36
ROCK1 Q13464 1/20 0.36

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
SCHEMBL2276009 0.90 S1PR1 (0.38) ALDH1A1S1PR1S1PR3LMNA
SCHEMBL10341233 0.76 GABRA1 (0.53) P2RX3PIM1IRAK1CAMK2BCAMK2G
SCHEMBL12372084 0.74 P2RX3 (0.42) P2RX3PIM1IRAK1CAMK2BCAMK2G
SCHEMBL12398941 0.70 P2RX3 (0.42) P2RX3PIM1IRAK1CAMK2BCAMK2G
SCHEMBL10341167 0.69 LMNA (0.47) P2RX3PIM1IRAK1CAMK2BCAMK2G
SCHEMBL12372070 0.68 PIM1 (0.37) P2RX3PIM1IRAK1CAMK2BCAMK2G
SCHEMBL15071685 0.68 ALDH1A1 (0.57) ALDH1A1KMT2ATDP1PKMTSHR
SCHEMBL10341236 0.68 LMNA (0.49) P2RX3PIM1IRAK1CAMK2BCAMK2G
SCHEMBL6050608 0.67 KMT2A (0.49) P2RX3PIM1IRAK1CAMK2BCAMK2G
SCHEMBL11524392 0.67 LMNA (0.49) P2RX3PIM1IRAK1CAMK2BCAMK2G

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-7998462-B2 Linkers for anchoring targeting ligands KEREOS, INC. (US) 2011-08-16 US disclosed
EP-2094311-A2 IMPROVED LINKERS FOR ANCHORING TARGETING LIGANDS KEREOS, INC. (US) 2009-09-02 EP disclosed
US-20080305037-A1 LINKERS FOR ANCHORING TARGETING LIGANDS KEREOS, INC. 2008-12-11 US disclosed
WO-2008070291-A2 IMPROVED LINKERS FOR ANCHORING TARGETING LIGANDS KEREOS, INC. (US) 2008-06-12 WO 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-20080305037-A1 LINKERS FOR ANCHORING TARGETING LIGANDS LDLR, HDLBP, FABP1 P2RX3 4767/4885PIM1 2365/4885IRAK1 3853/4885

“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.