SCHEMBL990938

SCHEMBL990938

CC(C)Cn1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)nc4n3CCC4)cc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 6/20 0.61
MAPK9 P45984 5/20 0.61
PRKD2 Q9BZL6 5/20 0.61
ERBB2 P04626 4/20 0.61
MAPK8 P45983 4/20 0.61
DYRK1A Q13627 4/20 0.61
MAP4K4 O95819 4/20 0.61
MINK1 Q8N4C8 4/20 0.61
PRKD3 O94806 3/20 0.61
MAP4K2 Q12851 3/20 0.61
CAMK2B Q13554 3/20 0.61
ERBB4 Q15303 3/20 0.61
PIM1 P11309 3/20 0.61
FGFR1 P11362 3/20 0.61
LIMK1 P53667 3/20 0.61
CAMK2G Q13555 2/20 0.61
PIM3 Q86V86 2/20 0.61
MKNK2 Q9HBH9 2/20 0.61
TAOK1 Q7L7X3 2/20 0.61
CLK4 Q9HAZ1 2/20 0.61

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
SCHEMBL989903 0.94 ERBB2 (0.55) CSNK1DMAPK9PRKD2ERBB2MAPK8
SCHEMBL5770544 0.79 MAPK14 (0.61) CSNK1DMAPK9PRKD2ERBB2MAPK8
SCHEMBL990057 0.77 MAPK14 (0.67) CSNK1DMAPK9PRKD2ERBB2MAPK8
SCHEMBL13143881 0.76 MAPK8 (1.00) CSNK1DMAPK9PRKD2ERBB2MAPK8
SCHEMBL9436258 0.74 TGFBR1 (0.69) CSNK1DTGFBR1TGFBR2MAPK14CSNK1E
SCHEMBL17767553 0.73 TGFBR1 (0.59) CSNK1DTGFBR1TGFBR2MAPK14CSNK1E
SCHEMBL17767421 0.73 MAPK14 (0.56) CSNK1DMAPK9PRKD2ERBB2MAPK8
SCHEMBL990878 0.72 MAPK14 (0.68) CSNK1DMAPK9PRKD2ERBB2MAPK8
SCHEMBL990260 0.71 ERBB2 (0.55) CSNK1DMAPK9PRKD2ERBB2MAPK8
SCHEMBL5772307 0.70 MAPK14 (0.55) CSNK1DMAPK9PRKD2ERBB2MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-1720862-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005080380-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2005-09-01 WO 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-10696693-B2 Fused imidazole derivatives as TGF-beta inhibitors TGFBR1, TGFBR2, SMAD3 CSNK1D 417/4885MAPK9 664/4885PRKD2 3081/4885
US-20180346487-A1 Fused Imidazole Derivatives as TGF-Beta Inhibitors TGFBR1, TGFBR2, SMAD3 CSNK1D 417/4885MAPK9 664/4885PRKD2 3081/4885
US-20080227839-A1 Kinase Inhibitors ABL1, MAP3K20, MAP3K19 CSNK1D 85/4885MAPK9 140/4885PRKD2 276/4885

“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.