SCHEMBL989496

SCHEMBL989496

CC(C)Cn1c(N)nc2ccc(-c3c(-c4ccccc4)ncn3C)cc21.CS(=O)(=O)O

nearest known ligand 0.57

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
FLT4 known ✓ P35916 1/20 0.47
MAPK14 Q16539 17/20 0.57
DYRK3 O43781 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
ERBB2 P04626 1/20 0.47
PIM1 P11309 1/20 0.47
FGFR1 P11362 1/20 0.47
FRK P42685 1/20 0.47
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
CSNK1D P48730 1/20 0.47
LIMK1 P53667 1/20 0.47
MAP4K2 Q12851 1/20 0.47
CAMK2B Q13554 1/20 0.47
CAMK2G Q13555 1/20 0.47
CAMK2D Q13557 1/20 0.47
DYRK1A Q13627 1/20 0.47
ERBB4 Q15303 1/20 0.47
TAOK1 Q7L7X3 1/20 0.47

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
SCHEMBL990654 0.93 MAPK14 (0.55) MAPK14DYRK3PRKD3MAP4K4ERBB2
SCHEMBL990878 0.92 MAPK14 (0.68) MAPK14DYRK3PRKD3MAP4K4ERBB2
SCHEMBL990057 0.84 MAPK14 (0.67) MAPK14DYRK3PRKD3MAP4K4ERBB2
SCHEMBL990046 0.81 KDM4E (0.46) MAPK14TNIK
SCHEMBL5772677 0.81 MAPK14 (0.83) MAPK14ERBB2PIM1FGFR1FLT4
SCHEMBL991427 0.77 MAPK14 (0.50) MAPK14DYRK3PRKD3MAP4K4ERBB2
SCHEMBL989440 0.75 MAPK14 (0.55) MAPK14DYRK3PRKD3MAP4K4ERBB2
SCHEMBL4582931 0.74 PRKD3 (0.51) MAPK14DYRK3PRKD3MAP4K4ERBB2
SCHEMBL991919 0.72 MAPK14 (0.51) MAPK14DYRK3PRKD3MAP4K4ERBB2
SCHEMBL5771109 0.72 MAPK14 (0.64) MAPK14ERBB2PIM1FGFR1FLT4

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-7863310-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2011-01-04 US disclosed
US-20080227839-A1 Kinase Inhibitors ELI LILLY AND COMPANY 2008-09-18 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 (1 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-20080227839-A1 Kinase Inhibitors ABL1, MAP3K20, MAP3K19 FLT4 681/4885MAPK14 341/4885DYRK3 676/4885

“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.