SCHEMBL27185528

SCHEMBL27185528

CCOc1ncncc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.42
▸ TSHR P16473 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GABRP O00591 1/20 0.38
▸ GABRD O14764 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRB1 P18505 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ GABRA3 P34903 1/20 0.38
▸ GABRA2 P47869 1/20 0.38
▸ GABRB2 P47870 1/20 0.38
▸ GABRA4 P48169 1/20 0.38
▸ GABRE P78334 1/20 0.38
▸ GABRA6 Q16445 1/20 0.38
▸ GABRG1 Q8N1C3 1/20 0.38
▸ GABRG3 Q99928 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
SCHEMBL30421542 1.00 KMT2A (0.42) KMT2ATSHRHSD17B10MAPTL3MBTL1
SCHEMBL27906709 0.84 CASP3 (0.44) KMT2ATSHRHSD17B10MAPTALDH1A1
SCHEMBL30422501 0.84 MKNK1 (0.42) KMT2ATSHRL3MBTL1ALDH1A1KDM4E
SCHEMBL23143261 0.83 TSHR (0.46) KMT2ATSHRHSD17B10MAPTL3MBTL1
SCHEMBL21128314 0.83 ALDH1A1 (0.42) KMT2ATSHRMAPTL3MBTL1ALDH1A1
SCHEMBL31148366 0.83 TSHR (0.46) KMT2ATSHRHSD17B10MAPTL3MBTL1
SCHEMBL17157424 0.81 TDP1 (0.44) KMT2AHSD17B10MAPTGABRPGABRD
SCHEMBL31261712 0.77 ALDH1A1 (0.48) KMT2ATSHRL3MBTL1ALDH1A1HPGD
SCHEMBL8328355 0.74 GABRP (0.43) KMT2AGABRPGABRDGABRA1GABRB1
SCHEMBL28777605 0.74 MAPK8 (0.45) KMT2ATSHRHSD17B10MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4441042-A1 5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND METHODS OF USING THE SAME Rgenta Therapeutics, Inc. (US) 2024-10-09 — — EP disclosed
CN-118748995-A 5-Pyrimidine carboxamide derivatives and methods of use thereof 亚根达医疗公司 2024-10-08 — — CN disclosed
US-20240109899-A1 BENZOFURAN COMPOUNDS AS STING AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-04-04 — — US disclosed
WO-2023102231-A1 5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND METHODS OF USING THE SAME RGENTA THERAPEUTICS, INC. (US) 2023-06-08 — — WO disclosed
WO-2022169921-A1 BENZOFURAN COMPOUNDS AS STING AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-08-11 — — 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 (1 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-20240109899-A1 BENZOFURAN COMPOUNDS AS STING AGONISTS STING1, MAVS, IRF3 KMT2A 4177/4885TSHR 4008/4885HSD17B10 3086/4885

“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.

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