SCHEMBL349952

SCHEMBL349952

O=C(NCCc1ccc(Br)cc1)c1[nH]nc2c1CCN(C(=O)c1ccc3[nH]nnc3c1)C2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.39
MAPK8 P45983 2/20 0.35
MAPK10 P53779 2/20 0.35
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
MAPT P10636 6/20 0.35
TP53 P04637 2/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2B6 P20813 1/20 0.32

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
SCHEMBL15139319 0.92 MAPT (0.44) PARP1MAPTTP53LMNAPOLB
SCHEMBL351618 0.92 RAB9A (0.41) PARP1RAB9A
SCHEMBL349265 0.92 MAPT (0.41) PARP1MAPTTP53POLBRAB9A
SCHEMBL349410 0.89 RAB9A (0.40) MAPTLMNATHRBRAB9AALDH1A1
SCHEMBL348821 0.89 PARP1 (0.40) PARP1MAPTPOLBALDH1A1
SCHEMBL16817277 0.87 PARP1 (0.34) PARP1MAPK8MAPK10TNKSTNKS2
SCHEMBL352127 0.87 MAPK1 (0.44) PARP1MAPTLMNARAB9A
SCHEMBL351334 0.84 MAPK10 (0.41) MAPK8MAPK10MAPTTP53POLB
SCHEMBL351047 0.83 ENPP2 (0.34) PARP1MAPK8MAPK10CYP2C9
SCHEMBL351354 0.82 ENPP2 (0.47) MAPK8MAPK10CYP2C9

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
US-20120015976-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) 2012-01-19 US claimed
US-8497283-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2013-07-30 US disclosed
US-20130023556-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-01-24 US disclosed
US-8329907-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2012-12-11 US disclosed
US-20120015976-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) 2012-01-19 US disclosed
US-20120015976-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) 2012-01-19 US 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 (2 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-20120015976-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 PARP1 706/4885MAPK8 3052/4885MAPK10 1071/4885
US-20130023556-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 PARP1 706/4885MAPK8 3052/4885MAPK10 1071/4885

“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.