SCHEMBL30730876

SCHEMBL30730876

CCc1cc2c(cc1N1CCN(C3CCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O.CS(=O)(=O)O

nearest known ligand 0.93

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
KDR known ✓ P35968 3/20 0.93
EGFR known ✓ P00533 1/20 0.76
DRD1 known ✓ P21728 1/20 0.76
SLC6A2 known ✓ P23975 1/20 0.76
SLC6A4 known ✓ P31645 1/20 0.76
DRD3 known ✓ P35462 1/20 0.76
ALK Q9UM73 20/20 0.93
INSR P06213 1/20 0.78
EML4 Q9HC35 3/20 0.76
SRPK2 P78362 2/20 0.76
SRPK1 Q96SB4 2/20 0.76
GAK O14976 1/20 0.76
ACOX3 O15254 1/20 0.76
NR1I2 O75469 1/20 0.76
ABCB11 O95342 1/20 0.76
ESR1 P03372 1/20 0.76
PGR P06401 1/20 0.76
RET P07949 1/20 0.76
ROS1 P08922 1/20 0.76
ADORA3 P0DMS8 1/20 0.76

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
SCHEMBL14990921 1.00 ALK (0.93) ALKKDRINSREML4SRPK2
SCHEMBL896117 0.96 ALK (1.00) ALKKDRINSREML4SRPK2
SCHEMBL29962458 0.95 ALK (0.97) ALKKDRINSREML4SRPK2
SCHEMBL898353 0.95 ALK (0.97) ALKKDRINSREML4SRPK2
SCHEMBL897844 0.93 ALK (1.00) ALKKDRINSREML4SRPK2
SCHEMBL896739 0.91 ALK (1.00) ALKKDRINSREML4SRPK2
SCHEMBL29962611 0.90 ALK (0.94) ALKKDRINSREML4SRPK2
SCHEMBL898490 0.90 ALK (0.94) ALKKDRINSREML4SRPK2
SCHEMBL898091 0.90 ALK (0.97) ALKKDRINSREML4SRPK2
SCHEMBL897920 0.90 ALK (1.00) ALKKDRINSREML4SRPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250114327-A1 COMPOSITION COMPRISING TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-04-10 US disclosed
US-20230398096-A1 COMPOSITION COMPRISING TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-12-14 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 (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-20250114327-A1 COMPOSITION COMPRISING TETRACYCLIC COMPOUND ALK, ALPI, TTR KDR 71/4885EGFR 218/4885DRD1 411/4885
US-20230398096-A1 COMPOSITION COMPRISING TETRACYCLIC COMPOUND ALK, ALPI, TTR KDR 71/4885EGFR 218/4885DRD1 411/4885

“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.