SCHEMBL1688616

SCHEMBL1688616

Cc1nnc2n1-c1cnc(-c3ccncc3)nc1N1CCCC[C@H]21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
USP2 O75604 3/20 0.42
TSHR P16473 3/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 1/20 0.40
HIF1A Q16665 1/20 0.40
LATS1 O95835 3/20 0.37
HDAC6 Q9UBN7 2/20 0.35
ROCK2 O75116 4/20 0.34
ROCK1 Q13464 4/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL1688604 0.97 MAPT (0.38) MAPTUSP2TSHRLMNAALDH1A1
SCHEMBL2689918 0.82 PDE2A (0.38) MAPTALDH1A1ALOX15HPGDHDAC6
SCHEMBL1688647 0.82 PIK3CG (0.35) MAPTUSP2TSHRLMNAALDH1A1
SCHEMBL1688608 0.82 MAPT (0.39) MAPTUSP2TSHRLMNAALDH1A1
SCHEMBL1688486 0.81 PLK2 (0.42) PLK1
SCHEMBL2689540 0.81 PDE2A (0.37) MAPTALDH1A1ALOX15HPGDHDAC6
SCHEMBL2689534 0.79 NOS2 (0.36)
SCHEMBL2340554 0.79 MAPT (0.43) MAPTUSP2TSHRLMNAALDH1A1
SCHEMBL2340557 0.79 MAPT (0.43) MAPTUSP2TSHRLMNAALDH1A1
SCHEMBL2689464 0.78 PDE2A (0.37) MAPTUSP2ALDH1A1ALOX15HPGD

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-20120115848-A1 Inhibitors of Polo-Like Kinase ELAN PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-20120115848-A1 Inhibitors of Polo-Like Kinase ELAN PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-20120115848-A1 Inhibitors of Polo-Like Kinase ELAN PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
WO-2012048129-A2 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2012-04-12 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-20120115848-A1 Inhibitors of Polo-Like Kinase PLK1, POLR2E, POLR2H MAPT 222/4885USP2 1475/4885TSHR 3697/4885

“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.