SCHEMBL1372979

SCHEMBL1372979

Cc1cc(CO)ccc1-c1ccccc1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.44
ESR2 Q92731 1/20 0.44
TSHR P16473 1/20 0.43
MYC P01106 1/20 0.39
WDR5 P61964 1/20 0.39
PPARG P37231 2/20 0.38
FFAR1 O14842 1/20 0.37
AKR1B1 P15121 1/20 0.37
CHEK1 O14757 1/20 0.37
PDK2 Q15119 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GALR3 O60755 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
RORC P51449 1/20 0.35
PTPN5 P54829 1/20 0.35
AR P10275 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35

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
SCHEMBL7576242 0.84 AR (0.44) NSD2ESR2TSHRAR
SCHEMBL1374344 0.84 TSHR (0.43) NSD2ESR2TSHRMYCWDR5
SCHEMBL10088552 0.81 PPARG (0.44) ESR2TSHRPPARGCHEK1PDK2
SCHEMBL1373666 0.81 ESR2 (0.44) NSD2ESR2PPARGFFAR1AKR1B1
SCHEMBL4919837 0.79 ESR2 (0.43) ESR2TSHRCHEK1PDK2RORC
SCHEMBL536160 0.78 TSHR (0.43) NSD2ESR2TSHRFFAR1AR
SCHEMBL1713 0.76 ESR2 (0.67) ESR2TSHRMYCWDR5PPARG
SCHEMBL7567116 0.76 NSD2 (0.40) NSD2ESR2TSHRARPDCD1
SCHEMBL1371797 0.76 ALDH1A1 (0.40) ESR2FFAR1AKR1B1CHEK1KDM4E
SCHEMBL8845800 0.76 TSHR (0.47) ESR2TSHRKDM4EGALR3ALDH1A1

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 15 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
US-8501750-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 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
EP-2253630-A1 Heterocyclic compound and use thereof Takeda Pharmaceutical Company Limited (JP) 2010-11-24 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
US-20100137281-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-03 US disclosed
EP-2151440-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-02-10 EP 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 (5 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 NSD2 2756/4885ESR2 147/4885TSHR 542/4885
US-20110288087-A1 FUSED RING COMPOUND AND USE THEREOF PPARA, PPARG, AGTR2 NSD2 2756/4885ESR2 147/4885TSHR 542/4885
US-20110294832-A1 FUSED RING COMPOUND AND USE THEREOF PPARA, PPARG, AGTR2 NSD2 2756/4885ESR2 147/4885TSHR 542/4885
US-20100137281-A1 HETEROCYCLIC COMPOUND AND USE THEREOF PCSK9, APOB, REN NSD2 965/4885ESR2 2435/4885TSHR 3559/4885
US-20100197683-A1 FUSED RING COMPOUND AND USE THEREOF PPARA, PPARG, AGTR2 NSD2 2756/4885ESR2 147/4885TSHR 542/4885

“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.