SCHEMBL5770544

SCHEMBL5770544

CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)nc4n3CCC4)cc21.CS(=O)(=O)O

nearest known ligand 0.61

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 19)

geneUniProtsupporting neighboursconfidence
ABL1 known ✓ P00519 1/20 0.58
EGFR known ✓ P00533 1/20 0.58
FLT4 known ✓ P35916 1/20 0.58
KDR known ✓ P35968 1/20 0.58
MAPK14 Q16539 19/20 0.61
CYP3A4 P08684 8/20 0.59
ERBB2 P04626 1/20 0.58
FYN P06241 1/20 0.58
PIM1 P11309 1/20 0.58
FGFR1 P11362 1/20 0.58
MAPK1 P28482 1/20 0.58
MAPK8 P45983 1/20 0.58
MAPK9 P45984 1/20 0.58
CSNK1D P48730 1/20 0.58
LIMK1 P53667 1/20 0.58
DYRK1A Q13627 1/20 0.58
CDC42BPA Q5VT25 1/20 0.58
AURKB Q96GD4 1/20 0.58
PRKD2 Q9BZL6 1/20 0.58

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
SCHEMBL5772337 0.92 MAPK14 (0.59) MAPK14CYP3A4ABL1EGFRERBB2
SCHEMBL17767421 0.89 MAPK14 (0.56) MAPK14CYP3A4ABL1EGFRERBB2
SCHEMBL5772307 0.86 MAPK14 (0.55) MAPK14CYP3A4ABL1EGFRERBB2
SCHEMBL989903 0.86 ERBB2 (0.55) MAPK14CYP3A4ABL1EGFRERBB2
SCHEMBL990938 0.79 CSNK1D (0.61) MAPK14CYP3A4ABL1EGFRERBB2
SCHEMBL5771899 0.76 MAPK14 (0.81) MAPK14CYP3A4ABL1EGFRERBB2
SCHEMBL5770065 0.76 MAPK14 (1.00) MAPK14CYP3A4ABL1EGFRERBB2
SCHEMBL5772546 0.75 MAPK14 (0.90) MAPK14CYP3A4ABL1EGFRERBB2
SCHEMBL5771972 0.75 MAPK14 (0.85) MAPK14CYP3A4ABL1EGFRERBB2
SCHEMBL5773676 0.74 MAPK14 (0.75) MAPK14CYP3A4ABL1EGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10696693-B2 Fused imidazole derivatives as TGF-beta inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2020-06-30 US claimed
CN-107207531-B Fused imidazole derivatives as TGF-beta inhibitors 里格尔药品股份有限公司 2021-05-25 CN disclosed
US-10696693-B2 Fused imidazole derivatives as TGF-beta inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2020-06-30 US disclosed
US-20180346487-A1 Fused Imidazole Derivatives as TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2018-12-06 US disclosed
EP-3221318-A1 FUSED IMIDAZOLE DERIVATIVES AS TGF-BETA INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2017-09-27 EP disclosed
WO-2016081364-A1 FUSED IMIDAZOLE DERIVATIVES AS TGF-BETA INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2016-05-26 WO disclosed
EP-1554272-B1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE LILLY CO ELI (US) 2006-10-25 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-10696693-B2 Fused imidazole derivatives as TGF-beta inhibitors TGFBR1, TGFBR2, SMAD3 ABL1 696/4885EGFR 250/4885FLT4 425/4885
US-20180346487-A1 Fused Imidazole Derivatives as TGF-Beta Inhibitors TGFBR1, TGFBR2, SMAD3 ABL1 696/4885EGFR 250/4885FLT4 425/4885

“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.