SCHEMBL717700

SCHEMBL717700

COC(=O)c1c[nH]nc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
MAP2K1 Q02750 1/20 0.38
NR4A2 P43354 4/20 0.38
CREBBP Q92793 1/20 0.38
MAPK1 P28482 1/20 0.37
AXL P30530 2/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 3/20 0.36
GLA P06280 2/20 0.36
F2 P00734 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
CFTR P13569 1/20 0.35
MAPT P10636 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 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
SCHEMBL3906252 0.84 CFTR (0.43) TSHRMAP2K1NR4A2CREBBPMAPK1
SCHEMBL13373959 0.81 NOTUM (0.38) KDM4EKMT2AALDH1A1
SCHEMBL13374014 0.81 KMT2A (0.46) TSHRMAPK1LMNAKDM4EGAA
SCHEMBL13374016 0.77 JAK2 (0.37) TSHRLMNAKDM4EGAAALDH1A1
SCHEMBL13374015 0.76 MAPK1 (0.43) MAPK1LMNAKDM4EGAAKMT2A
SCHEMBL14438179 0.75 TSHR (0.44) TSHRMAP2K1NR4A2CREBBPMAPK1
SCHEMBL69295 0.75 NPSR1 (0.48) TSHRMAP2K1NR4A2CREBBPMAPK1
SCHEMBL165475 0.75 TSHR (0.43) TSHRMAP2K1NR4A2CREBBPMAPK1
SCHEMBL719512 0.75 TSHR (0.43) TSHRMAP2K1NR4A2CREBBPMAPK1
SCHEMBL13374019 0.74 POLB (0.40) TSHRGAAKMT2AALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022255465-A1 BENZIMIDAZOLE COMPOUND OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE/ACARICIDE AND CANINE FILARIASIS CONTROL AGENT FOR ANIMALS CONTAINING SAME, AND METHOD OF USE THEREOF 日本農薬株式会社 2022-12-08 WO disclosed
WO-2022255465-A1 BENZIMIDAZOLE COMPOUND OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE/ACARICIDE AND CANINE FILARIASIS CONTROL AGENT FOR ANIMALS CONTAINING SAME, AND METHOD OF USE THEREOF 日本農薬株式会社 2022-12-08 WO disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP disclosed
EP-1704143-A1 MALONONITRILE COMPOUND AS PESTICIDES Sumitomo Chemical Company, Limited (JP) 2006-09-27 EP disclosed
WO-2005068432-A1 MALONONITRILE COMPOUND AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-28 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 (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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP TSHR 1555/4885MAP2K1 2166/4885NR4A2 696/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP TSHR 1555/4885MAP2K1 2166/4885NR4A2 696/4885

“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.