SCHEMBL1374558

SCHEMBL1374558

c1nc2ccc3nc[nH]c3c2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.44
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
RAD52 P43351 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MMP12 P39900 1/20 0.40
PARP1 P09874 7/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PDPK1 O15530 1/20 0.39
CA12 O43570 1/20 0.39
ALOX15 P16050 1/20 0.39
CA9 Q16790 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
CHEK1 O14757 1/20 0.39
PIM1 P11309 1/20 0.39
AKT1 P31749 1/20 0.39
FLT3 P36888 1/20 0.39
PIM3 Q86V86 1/20 0.39
CYP3A4 P08684 1/20 0.39
NAMPT P43490 1/20 0.39

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
SCHEMBL3156088 0.78 PARP1 (0.39) PRKCIKDM4EMAPTRAD52ALDH1A1
SCHEMBL1193119 0.78 PARP1 (0.39) PRKCIKDM4EMAPTRAD52ALDH1A1
SCHEMBL38687 0.78 ADRA2A (0.41) PRKCIKDM4EMAPTRAD52ALDH1A1
SCHEMBL15834705 0.78 LMNA (0.44) PRKCIKDM4EMAPTRAD52ALDH1A1
SCHEMBL4535251 0.78 CSNK2A1 (0.39) PRKCIKDM4EMAPTRAD52ALDH1A1
SCHEMBL12121765 0.77 PARP1 (0.38) PRKCIKDM4EMAPTRAD52MMP12
SCHEMBL1798450 0.75 PARP1 (0.37) PRKCIKDM4EMAPTRAD52MMP12
SCHEMBL7348969 0.75 PARP1 (0.37) PRKCIKDM4EMAPTRAD52ALDH1A1
SCHEMBL4144107 0.75 CYP3A4 (0.47) KDM4EMAPTALDH1A1PARP1SMN1; SMN2
SCHEMBL4605903 0.75 MAPT (0.43) PRKCIKDM4EMAPTRAD52ALDH1A1

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
US-9169282-B2 Metal complexes MERCK PATENT GMBH (DE) 2015-10-27 US disclosed
US-20110284799-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-11-24 US disclosed
WO-2010086089-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2010-08-05 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 (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-20110284799-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 PRKCI 2618/4885KDM4E 3816/4885MAPT 1084/4885

“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.