SCHEMBL1371602

SCHEMBL1371602

c1ccc(Cn2nccc2NC2CCOCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.48
MAPK1 P28482 4/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
MAPK3 P27361 1/20 0.44
MAOB P27338 2/20 0.41
HTR6 P50406 2/20 0.41
POLB P06746 1/20 0.41
BRD4 O60885 2/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
P2RX7 Q99572 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 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
SCHEMBL1372273 0.83 TSHR (0.41) PDE4BMAPK1POLBBRD4P2RX7
SCHEMBL1370952 0.81 PDE4B (0.44) PDE4BMAPK1CCNA2CDK2MAPK3
SCHEMBL1372653 0.76 PDE4B (0.52) PDE4BMAPK1CCNA2CDK2MAPK3
SCHEMBL6984702 0.72 POLB (0.44) POLB
SCHEMBL1628296 0.67 P2RX7 (0.50) P2RX7PKM
SCHEMBL25616567 0.66 BRD4 (0.45) PDE4BMAPK1CCNA2CDK2MAPK3
SCHEMBL632436 0.66 MAPK1 (0.52) MAPK1PKM
SCHEMBL11470958 0.66 ADRA2A (0.48)
SCHEMBL375264 0.65 GRIN2B (0.62) HRH3
SCHEMBL28734876 0.65 ALDH1A1 (0.46) MAPK1POLBP2RX7PKM

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 11 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
EP-2384327-A1 FUSED RING COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-11-09 EP disclosed
US-20100197683-A1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-08-05 US disclosed
WO-2010087515-A1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 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 (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 PDE4B 1596/4885MAPK1 730/4885CCNA2 3693/4885
US-20110288087-A1 FUSED RING COMPOUND AND USE THEREOF PPARA, PPARG, AGTR2 PDE4B 1596/4885MAPK1 730/4885CCNA2 3693/4885
US-20110294832-A1 FUSED RING COMPOUND AND USE THEREOF PPARA, PPARG, AGTR2 PDE4B 1596/4885MAPK1 730/4885CCNA2 3693/4885
US-20100197683-A1 FUSED RING COMPOUND AND USE THEREOF PPARA, PPARG, AGTR2 PDE4B 1596/4885MAPK1 730/4885CCNA2 3693/4885

“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.