SCHEMBL21986803

SCHEMBL21986803

COC(=O)c1c(OC)ccc2[nH]nnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
ABCG2 Q9UNQ0 1/20 0.36
GAA P10253 2/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 3/20 0.35
KDM4E B2RXH2 3/20 0.35
NR4A2 P43354 2/20 0.35
STAT3 P40763 1/20 0.35
HIF1A Q16665 1/20 0.35
MEN1 O00255 2/20 0.35
HPGD P15428 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 2/20 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
SCHEMBL6052037 0.86 CA12 (0.47) MAPTCA12CA1CA2CA7
SCHEMBL9172789 0.85 CA12 (0.46) MAPTCA12CA1CA2CA7
Silver SCHEMBL9172794 0.84 KDM4E (0.35) MAPTGAACA12CA1CA2
SCHEMBL8953202 0.83 KDM4E (0.41) MAPTABCG2GAACA12CA1
SCHEMBL11022639 0.82 ALPL (0.41) MAPTABCG2GAACA12CA1
SCHEMBL3794387 0.79 MAPT (0.37) MAPTGAAMAPK1KDM4ENR4A2
SCHEMBL1080724 0.76 QPCT (0.44) MAPTALDH1A1KDM4EMEN1HPGD
SCHEMBL5702607 0.76 KDM4E (0.40) MAPTALDH1A1MAPK1KDM4EHIF1A
SCHEMBL1080091 0.75 PARP1 (0.42) MAPTABCG2GAAALDH1A1TSHR
SCHEMBL9172863 0.74 KDM4E (0.39) MAPTALDH1A1MAPK1KDM4EHIF1A

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
EP-3660003-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2024-01-24 EP disclosed
US-11713311-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-08-01 US disclosed
US-20220388995-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-12-08 US disclosed
US-11230541-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-01-25 US disclosed
US-20200231579-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-07-23 US disclosed
EP-3660003-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-06-03 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 (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-11230541-B2 Heterocyclic compound GRIN1, GRIN2A, GRIN2B MAPT 213/4885ABCG2 2108/4885GAA 4568/4885
US-20200231579-A1 HETEROCYCLIC COMPOUND GRIN1, GRIN2A, GRIN2B MAPT 213/4885ABCG2 2108/4885GAA 4568/4885
US-11713311-B2 Heterocyclic compound GRIN1, GRIN2A, GRIN2B MAPT 213/4885ABCG2 2108/4885GAA 4568/4885
US-20220388995-A1 HETEROCYCLIC COMPOUND GRIN1, GRIN2A, GRIN2B MAPT 213/4885ABCG2 2108/4885GAA 4568/4885

“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.