SCHEMBL18015348

SCHEMBL18015348

Cc1cc(-c2ccc(Cl)cc2)ncc1-c1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.44
LDHA P00338 1/20 0.41
MAP4K4 O95819 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
HPGDS O60760 1/20 0.38
HSD11B1 P28845 1/20 0.38
ROS1 P08922 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
IDO1 P14902 1/20 0.37
FYN P06241 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL21202806 0.86 PIM1 (0.44) PIM1LDHAMAP4K4PDE3BPDE3A
SCHEMBL19794341 0.86 KMT2A (0.45) LDHAMEN1HTTKMT2AIDO1
SCHEMBL18015344 0.85 RAB9A (0.45) LDHAL3MBTL1MEN1KMT2AIDO1
SCHEMBL18015350 0.84 LDHA (0.49) LDHAMAP4K4L3MBTL1CYP1A2MEN1
SCHEMBL18015342 0.84 LDHA (0.54) LDHAMAP4K4L3MBTL1CYP1A2MEN1
SCHEMBL18015339 0.83 ADORA2A (0.44) PIM1L3MBTL1CYP1A2CYP3A4CYP2C19
SCHEMBL18015458 0.82 KDM4E (0.41) PIM1LDHAMAP4K4PDE3BPDE3A
SCHEMBL18015497 0.79 GRM5 (0.42) PIM1LDHA
SCHEMBL15490820 0.78 LDHA (0.51) LDHAMEN1KMT2AKDM4EMAPT
SCHEMBL18015447 0.78 LIPG (0.47) PIM1LDHAMAP4K4PDE3BPDE3A

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 5 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
WO-2016124304-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-08-11 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 (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 PIM1 2799/4885LDHA 2726/4885MAP4K4 4015/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 PIM1 1449/4885LDHA 1917/4885MAP4K4 3219/4885

“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.