SCHEMBL19794450

SCHEMBL19794450

Cc1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4C)cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4C)c3)cc2)ncc1-c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.43
MAPK14 Q16539 2/20 0.43
SQOR Q9Y6N5 3/20 0.39
PDK2 Q15119 1/20 0.39
GRM5 P41594 2/20 0.37
TOP1 P11387 2/20 0.37
LDHA P00338 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNA5 P22460 1/20 0.35

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
SCHEMBL18015684 0.92 TGFBR1 (0.46) TGFBR1MAPK14SQORPDK2GRM5
SCHEMBL18015493 0.91 TGFBR1 (0.45) TGFBR1PDK2GRM5LDHAMEN1
SCHEMBL18015498 0.88 LDHA (0.40) TGFBR1MAPK14PDK2GRM5LDHA
SCHEMBL21020819 0.87 LDHA (0.43) TGFBR1PDK2GRM5LDHA
SCHEMBL18015380 0.87 PDK2 (0.45) TGFBR1PDK2GRM5LMNA
SCHEMBL18015496 0.85 LDHA (0.48) TGFBR1GRM5LDHA
SCHEMBL18015497 0.85 GRM5 (0.42) TGFBR1MAPK14GRM5LDHA
SCHEMBL19933730 0.84 LDHA (0.42) TGFBR1MAPK14TOP1LDHAALOX5AP
SCHEMBL19794359 0.83 LDHA (0.48) SQORTOP1LDHAALOX5APFEN1
SCHEMBL20068726 0.82 LDHA (0.43) TGFBR1TOP1LDHAALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 US disclosed
EP-3254317-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-31 EP disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 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-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC TGFBR1 2080/4885MAPK14 4612/4885SQOR 637/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 TGFBR1 4348/4885MAPK14 4458/4885SQOR 373/4885

“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.