SCHEMBL19529554

SCHEMBL19529554

CCOC(=O)c1cc(C#Cc2ccc(NC(=O)C(F)(F)F)cc2)cc(CBr)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 4/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
P2RY12 Q9H244 1/20 0.36
POLB P06746 1/20 0.35
TP53 P04637 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GRM5 P41594 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
SCHEMBL17723712 0.92 PDK1 (0.42) PDK1PDK2PDK3PDK4MEN1
SCHEMBL16097360 0.91 PDK1 (0.42) PDK1PDK2PDK3PDK4MEN1
SCHEMBL14721257 0.85 CYP2C19 (0.42) MEN1KMT2AMAPTCYP1A2CYP2C9
SCHEMBL14720800 0.83 MEN1 (0.35) PDK1PDK2PDK3PDK4MEN1
SCHEMBL14720769 0.76 CYP1A2 (0.39) LMNAMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL14720572 0.74 CYP2C19 (0.43) MEN1KMT2AMAPTCYP1A2CYP2C9
SCHEMBL14721808 0.72 CYP1A2 (0.31) LMNACYP1A2CYP2C9CYP2C19
SCHEMBL18677889 0.72
SCHEMBL1542395 0.70 PDK1 (0.74) PDK1PDK2PDK3PDK4MEN1
SCHEMBL16232839 0.70 KMT2A (0.52) MEN1KMT2ATSHRLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3212733-B1 NEW CHROMOPHORIC STRUCTURES FOR MACROCYCLIC LANTHANIDE CHELATES RADIOMETER TURKU OY (FI) 2019-08-28 EP disclosed
US-20170313936-A1 NEW CHROMOPHORIC STRUCTURES FOR MACROCYCLIC LANTHANIDE CHELATES RADIOMETER TURKU OY (FI) 2017-11-02 US disclosed
US-20170313936-A1 NEW CHROMOPHORIC STRUCTURES FOR MACROCYCLIC LANTHANIDE CHELATES RADIOMETER TURKU OY (FI) 2017-11-02 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-20170313936-A1 NEW CHROMOPHORIC STRUCTURES FOR MACROCYCLIC LANTHANIDE CHELATES UACA, CACYBP, LGALS3BP PDK1 3231/4885PDK2 4308/4885PDK3 4109/4885

“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.