SCHEMBL29652675

SCHEMBL29652675

CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc(NC2CC2)nc1

nearest known ligand 0.95

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ABL1 known ✓ P00519 13/20 0.95
▸ KIT known ✓ P10721 5/20 0.76
▸ EGFR known ✓ P00533 3/20 0.73
▸ BRAF known ✓ P15056 3/20 0.73
▸ FGFR1 P11362 1/20 0.70
▸ CYP2C9 P11712 1/20 0.70
▸ PDGFRA P16234 1/20 0.70
▸ CYP2C19 P33261 1/20 0.70
▸ FLT3 P36888 1/20 0.70
▸ LRRK2 Q5S007 1/20 0.70
▸ HDAC6 Q9UBN7 1/20 0.70

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
SCHEMBL3431360 0.97 ABL1 (1.00) ABL1KITEGFRBRAFFGFR1
SCHEMBL29515093 0.97 ABL1 (1.00) ABL1KITEGFRBRAFFGFR1
SCHEMBL22699303 0.89 ABL1 (0.85) ABL1KITEGFRBRAFFGFR1
SCHEMBL22549164 0.89 KIT (0.84) ABL1KITEGFRBRAFFGFR1
SCHEMBL24626768 0.87 ABL1 (0.81) ABL1KITFGFR1CYP2C9PDGFRA
SCHEMBL29675010 0.87 ABL1 (0.81) ABL1KITFGFR1CYP2C9PDGFRA
SCHEMBL31620735 0.86 KIT (1.00) ABL1KITFGFR1CYP2C9PDGFRA
SCHEMBL4112245 0.86 ABL1 (1.00) ABL1KITFGFR1CYP2C9PDGFRA
SCHEMBL24626028 0.86 ABL1 (0.79) ABL1KITFGFR1CYP2C9PDGFRA
Olverembatinib SCHEMBL14953403 0.86 ABL1 (0.94) ABL1KITFGFR1CYP2C9PDGFRA

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-3999056-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF Ascentage Pharma (Suzhou) Co., Ltd. (CN) 2022-05-25 — — EP claimed
EP-3999056-B1 PHARMACEUTICAL COMBINATION AND ITS USE IN THE PREVENTION AND TREATMENT OF CANCER ASCENTAGE PHARMA SUZHOU CO LTD (CN) 2026-05-06 — — EP disclosed
US-20250235426-A1 Pharmaceutical Combination and Use Thereof ASCENTAGE PHARMA GROUP CORP LIMITED (CN) 2025-07-24 — — US disclosed
US-12233047-B2 Pharmaceutical combination and use thereof ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2025-02-25 — — US disclosed
EP-3999056-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF Ascentage Pharma (Suzhou) Co., Ltd. (CN) 2022-05-25 — — EP disclosed
US-20220142975-A1 Pharmaceutical Combination and Use Thereof ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2022-05-12 — — US 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 (3 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-12233047-B2 Pharmaceutical combination and use thereof SLC5A6, SLC10A1, SLC26A4 ABL1 653/4885KIT 813/4885EGFR 1055/4885
US-20250235426-A1 Pharmaceutical Combination and Use Thereof SLC5A6, SLC10A1, SLC26A4 ABL1 640/4885KIT 747/4885EGFR 1038/4885
US-20220142975-A1 Pharmaceutical Combination and Use Thereof SLC5A6, SLC10A1, SLC26A4 ABL1 653/4885KIT 813/4885EGFR 1055/4885

“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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