SCHEMBL29358201

SCHEMBL29358201

CCN(CC)CCn1nc2c3c(c(C)ccc31)Sc1cc(Cl)ccc1-2.CS(=O)(=O)O

nearest known ligand 0.55

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 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 12/20 0.55
TOP2B Q02880 2/20 0.55
RAD52 P43351 2/20 0.36
HTT P42858 2/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
MITF O75030 1/20 0.36
DNMT1 P26358 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
UHRF1 Q96T88 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP2 O95551 1/20 0.34
NSD2 O96028 1/20 0.34
CASP3 P42574 1/20 0.34
CASP7 P55210 1/20 0.34

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
SCHEMBL6750941 0.93 TOP2A (0.47) TOP2ATOP2BRAD52HTTPOLB
SCHEMBL11750031 0.86 TOP2A (0.54) TOP2ATOP2BRAD52HTTPOLB
SCHEMBL7489756 0.83 TOP2A (0.54) TOP2ATOP2BRAD52HTTPOLB
SCHEMBL29372928 0.83 TOP2A (0.54) TOP2ATOP2BRAD52HTTPOLB
SCHEMBL11745243 0.83 TOP2A (0.37) TOP2ATOP2BKMT2ALMNATP53
SCHEMBL11747964 0.81 TOP2A (0.58) TOP2ATOP2BRAD52HTTPOLB
SCHEMBL11749326 0.80 TOP2A (0.49) TOP2ATOP2BRAD52HTTPOLB
SCHEMBL11747960 0.80 TOP2A (0.56) TOP2ATOP2BRAD52HTTPOLB
SCHEMBL7495129 0.79 TOP2A (0.50) TOP2ATOP2BRAD52HTTPOLB
SCHEMBL10477218 0.74 TOP2A (0.58) TOP2ATOP2BRAD52HTTPOLB

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 1399 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4746969-A1 HETEROCYCLIC PAD4 INHIBITORS Bristol-Myers Squibb Company (US) 2026-05-27 EP claimed
CN-122094952-A Pyrazolopyridine-based DNA-dependent protein kinase inhibitors and compositions and their use in gene editing 2026-05-26 CN claimed
CN-122094961-A DNA-dependent protein kinase inhibitors and compositions based on 5, 6-core silacycle and their use in gene editing 2026-05-26 CN claimed
US-20260123175-A1 COMPOUNDS HAVING FLUORENE STRUCTURES MERCK PATENT GMBH (DE) 2026-04-30 US claimed
US-12503438-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2025-12-23 US claimed
US-20250368595-A1 NOVEL MOLECULES Xeniopro GmbH (DE) 2025-12-04 US claimed
US-20250368666-A1 INDAZOLE COMPOUNDS TYRA BIOSCIENCES INC (US) 2025-12-04 US claimed
US-12435067-B2 Truncated itraconazole analogues and methods of use thereof UNIVERSITY OF CONNECTICUT (US) 2025-10-07 US claimed
WO-2025201532-A1 NOVEL PEGYLATION COMPOUNDS, COMPOSITIONS COMPRISING THE SAME AND USES THEREOF NUPHASE THERAPEUTICS (SHANGHAI) LIMITED., CO. (CN) 2025-10-02 WO claimed
US-20250299853-A1 HOT DEFORMED MAGNET TDK CORPORATION (JP) 2025-09-25 US claimed
EP-3983388-A1 SULFONAMIDE DERIVATIVES AND USES THEREOF Nodthera Limited (GB) 2022-04-20 EP claimed
US-20220110955-A1 DEUTERATED DERIVATIVES OF PSILOCYBIN AND USES THEREOF Lennham Pharmaceuticals, Inc. 2022-04-14 US claimed
EP-3980404-A1 COMPOUNDS FOR THE TREATMENT OF KINASE-DEPENDENT DISORDERS Exelixis, Inc. (US) 2022-04-13 EP claimed
WO-2022068921-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF 上海医药集团股份有限公司 2022-04-07 WO claimed
CN-114261970-A Transition metal oxide molecular sieve and preparation method and application thereof 宁波大学 2022-04-01 CN claimed
EP-3966208-A2 COMPOUNDS AND METHODS FOR TREATING CANCER Antidote IP Holdings, LLC (US) 2022-03-16 EP claimed
EP-3967683-A1 SUBSTITUTED FLUORINE-CONTAINING IMIDAZOLE SALT COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF Xiamen Vivohealths Technology Co., Ltd. (CN) 2022-03-16 EP claimed
CN-110441453-B Method for separating and detecting phosphamidon isomers 国家烟草质量监督检验中心 2022-03-15 CN claimed
WO-2022042657-A1 COMPOUNDS AND METHODS OF USE Ferro Therapeutics, Inc. (US) 2022-03-03 WO claimed
CN-114100603-A In for degrading perfluorooctanoic acid2O3Photocatalyst and preparation method thereof 清华大学深圳国际研究生院 2022-03-01 CN claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20220110955-A1 DEUTERATED DERIVATIVES OF PSILOCYBIN AND USES THEREOF DRD2, DRD3, CNR2 TOP2A 2682/4885TOP2B 1301/4885RAD52 3166/4885
US-12503438-B2 Compounds for the treatment of kinase-dependent disorders ERBB2, ERBB3, PTK2B TOP2A 2579/4885TOP2B 2887/4885RAD52 3949/4885
US-20250368595-A1 NOVEL MOLECULES MUSK, IKZF3, TYR TOP2A 3103/4885TOP2B 3095/4885RAD52 832/4885
US-20260123175-A1 COMPOUNDS HAVING FLUORENE STRUCTURES NR0B1, NR0B2, NR2E1 TOP2A 2630/4885TOP2B 1203/4885RAD52 1779/4885
US-20250368666-A1 INDAZOLE COMPOUNDS FGFR1, FGFR3, FGFR2 TOP2A 1453/4885TOP2B 1130/4885RAD52 3865/4885
US-12435067-B2 Truncated itraconazole analogues and methods of use thereof GLI1, SHH, SMO TOP2A 3796/4885TOP2B 3235/4885RAD52 3555/4885

“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.