SCHEMBL1370164

SCHEMBL1370164

c1nn[nH]c1NC1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 7/20 0.49
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
LRRK2 Q5S007 1/20 0.38
FYN P06241 2/20 0.35
MKNK1 Q9BUB5 2/20 0.35
PDE4B Q07343 1/20 0.34
ERN1 O75460 1/20 0.34
TIPARP Q7Z3E1 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
PIM1 P11309 2/20 0.34
CCNT1 O60563 1/20 0.34

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
SCHEMBL1374045 0.71
SCHEMBL1372875 0.71 MAPK1 (0.49) MAPK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL13827579 0.69 MAPK1 (0.46) MAPK1LRRK2PDE4BMAPK8MAPK9
Hydrochloric Acid SCHEMBL1369979 0.68 MAPK1 (0.45) MAPK1LRRK2PDE4BMAPK8MAPK9
SCHEMBL28643622 0.66 MAPK1 (0.40) MAPK1LRRK2MAPK8MAPK9MAPK10
SCHEMBL1370031 0.66 MAPK1 (0.50) MAPK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL29730384 0.66 MAPK1 (1.00) MAPK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL19144932 0.66 MAPK1 (1.00) MAPK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL1370636 0.64 MAPK1 (0.44) MAPK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL16057908 0.64 MAPK1 (0.45) MAPK1HDAC3HDAC1HDAC2HDAC6

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115136-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-25 US disclosed
US-8921379-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-30 US disclosed
US-20140046056-A1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-02-13 US disclosed
US-8592431-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 US disclosed
EP-2384327-B1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2013-07-31 EP disclosed
US-8283353-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-09 US disclosed
US-20110294832-A1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-12-01 US disclosed
US-20110288087-A1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-11-24 US disclosed
US-20100197683-A1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-08-05 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 (4 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-20140046056-A1 FUSED RING COMPOUND AND USE THEREOF PPARA, PPARG, AGTR2 MAPK1 730/4885HDAC3 280/4885HDAC1 274/4885
US-20110288087-A1 FUSED RING COMPOUND AND USE THEREOF PPARA, PPARG, AGTR2 MAPK1 730/4885HDAC3 280/4885HDAC1 274/4885
US-20110294832-A1 FUSED RING COMPOUND AND USE THEREOF PPARA, PPARG, AGTR2 MAPK1 730/4885HDAC3 280/4885HDAC1 274/4885
US-20100197683-A1 FUSED RING COMPOUND AND USE THEREOF PPARA, PPARG, AGTR2 MAPK1 730/4885HDAC3 280/4885HDAC1 274/4885

“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.