SCHEMBL12372084

SCHEMBL12372084

CCOC(=O)c1cn(C)c2cc(CNc3nccn3C(c3ccccc3)(c3ccccc3)c3ccccc3)ccc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.42
PIM1 P11309 1/20 0.38
IRAK1 P51617 1/20 0.38
CAMK2B Q13554 1/20 0.38
CAMK2G Q13555 1/20 0.38
CAMK2D Q13557 1/20 0.38
PIM3 Q86V86 1/20 0.38
S1PR1 P21453 5/20 0.37
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
S1PR3 Q99500 2/20 0.36
MAPT P10636 4/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDR P35968 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35

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
SCHEMBL5779683 0.92 S1PR1 (0.36) P2RX3S1PR1RAB9AS1PR3ALDH1A1
SCHEMBL4388255 0.90 S1PR1 (0.40) S1PR1RAB9AS1PR3LMNAKDR
SCHEMBL4654781 0.84 P2RX3 (0.40) P2RX3CAMK2DMAPTALDH1A1CDK1
SCHEMBL7052174 0.83 P2RX3 (0.39) P2RX3PIM1IRAK1CAMK2BCAMK2G
SCHEMBL7055717 0.82 S1PR1 (0.41) S1PR1RAB9AS1PR3MAPTALDH1A1
SCHEMBL12398941 0.81 P2RX3 (0.42) P2RX3PIM1IRAK1CAMK2BCAMK2G
SCHEMBL27608112 0.79 KMT2A (0.35) MAPTALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL12372070 0.78 PIM1 (0.37) P2RX3PIM1IRAK1CAMK2BCAMK2G
SCHEMBL5663495 0.76 P2RX3 (0.38) P2RX3NPSR1MAPTALDH1A1TDP1
SCHEMBL4654929 0.75 CAMK2D (0.37) CAMK2DCDK1CDK2

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 5 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
US-7998462-B2 Linkers for anchoring targeting ligands KEREOS, INC. (US) 2011-08-16 US disclosed
US-20080305037-A1 LINKERS FOR ANCHORING TARGETING LIGANDS KEREOS, INC. 2008-12-11 US 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.