SCHEMBL10109310

SCHEMBL10109310

NCCC(=O)Nc1ccc2[nH]nnc2c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TERT O14746 6/20 0.50
HTR6 P50406 4/20 0.46
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
P2RY12 Q9H244 2/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
CD40 P25942 1/20 0.40
CD40LG P29965 1/20 0.40
ABL1 P00519 1/20 0.39
NPY5R Q15761 1/20 0.39
PLAU P00749 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL9508860 0.90 P2RY12 (0.44) TERTP2RY12ITGB3ITGA2BMEN1
SCHEMBL6519579 0.89 TERT (0.48) TERTCD40CD40LGMEN1KMT2A
SCHEMBL2704274 0.86 ALDH1A1 (0.50) TERTMEN1KMT2A
SCHEMBL2705691 0.86 POLB (0.50) MEN1KMT2A
SCHEMBL4447236 0.83 EGFR (0.46) MEN1KMT2A
SCHEMBL11067406 0.83 SMN1; SMN2 (0.53)
SCHEMBL11489249 0.82 LMNA (0.52)
SCHEMBL14093907 0.81 KDM4E (0.44) MEN1KMT2A
SCHEMBL1156215 0.81 PEPD (0.42) CD40CD40LGMEN1KMT2A
SCHEMBL9475174 0.79 CNR1 (0.43) P2RY12

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
EP-2414327-B1 HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2014-11-19 EP disclosed
US-8841324-B2 Heterocyclic compounds as autotaxin inhibitors MERCK PATENT GMBH (DE) 2014-09-23 US disclosed
US-20120015959-A1 HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-01-19 US disclosed
WO-2010112116-A1 HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2010-10-07 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-20120015959-A1 HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS ENPP2, HAX1, MTX1 TERT 560/4885HTR6 1785/4885HTR2C 2006/4885

“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.