SCHEMBL24064173

SCHEMBL24064173

COc1cc(-c2ncn(C)n2)ccc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ TSHR P16473 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ PIK3CD O00329 2/20 0.43
▸ ABL1 P00519 2/20 0.43
▸ EGFR P00533 2/20 0.43
▸ HCK P08631 2/20 0.43
▸ SRC P12931 2/20 0.43
▸ KDR P35968 2/20 0.43
▸ PIK3CA P42336 2/20 0.43
▸ PIK3CB P42338 2/20 0.43
▸ MTOR P42345 2/20 0.43
▸ PIK3CG P48736 2/20 0.43
▸ EPHB4 P54760 2/20 0.43
▸ PRKDC P78527 2/20 0.43
▸ PI4KB Q9UBF8 2/20 0.43
▸ AOC3 Q16853 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL22430997 0.85 ALDH1A1 (0.61) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL31304141 0.83 AOC3 (0.40) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL29133002 0.82 ABCB1 (0.39) ALDH1A1CYP3A4HSD17B10TSHRAOC3
SCHEMBL24557270 0.79 LMNA (0.39) ALDH1A1PIK3CDABL1EGFRHCK
SCHEMBL30964050 0.76 RAB9A (0.41) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL30184489 0.76 CHEK1 (0.46) ALDH1A1TDP1MAPTHPGDSMN1; SMN2
SCHEMBL29212300 0.76 CHEK1 (0.46) ALDH1A1TDP1MAPTHPGDSMN1; SMN2
SCHEMBL15652281 0.76 ALDH1A1 (0.56) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL22130201 0.76 ALDH1A1 (0.66) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL17049238 0.75 ALDH1A1 (0.59) ALDH1A1CYP3A4HSD17B10TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400591-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-12-05 — — US disclosed
EP-4384510-A1 COMPOUNDS TARGETING MUTANT OF P53 Jacobio Pharmaceuticals Co., Ltd. (CN) 2024-06-19 — — EP disclosed
CN-117813295-A Compounds targeting p53 mutants 北京加科思新药研发有限公司 2024-04-02 — — CN disclosed
US-20230183243-A1 HETEROARYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT VORONOIBIO INC. (KR) 2023-06-15 — — US disclosed
US-20230183243-A1 HETEROARYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT VORONOIBIO INC. (KR) 2023-06-15 — — US disclosed
US-20230183243-A1 HETEROARYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT VORONOIBIO INC. (KR) 2023-06-15 — — US disclosed
WO-2023016434-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-02-16 — — WO disclosed
WO-2023016434-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-02-16 — — WO disclosed
EP-3915986-A1 HETEROARYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT Voronoi Inc. (KR) 2021-12-01 — — EP disclosed
EP-3915986-A1 HETEROARYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT Voronoi Inc. (KR) 2021-12-01 — — 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 (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-20230183243-A1 HETEROARYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT TTK, TTBK1, TTBK2 ALDH1A1 3055/4885CYP3A4 1966/4885HSD17B10 967/4885
US-20240400591-A1 COMPOUNDS TARGETING MUTANT OF P53 TP53, TP53BP1, MDM2 ALDH1A1 2527/4885CYP3A4 4371/4885HSD17B10 3417/4885

“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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