SCHEMBL4178522

SCHEMBL4178522

[Ni].c1ccc(-c2ccc(-c3ccccn3)nn2)nc1

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.95
NPC1 O15118 9/20 0.95
RAB9A P51151 9/20 0.95
SMN1; SMN2 Q16637 7/20 0.95
HTT P42858 5/20 0.95
LMNA P02545 4/20 0.95
TP53 P04637 4/20 0.95
ALOX15 P16050 2/20 0.95
L3MBTL1 Q9Y468 2/20 0.95
ALDH1A1 P00352 1/20 0.95
PKM P14618 1/20 0.95
HPGD P15428 1/20 0.95
HSD17B10 Q99714 1/20 0.95
CCR1 P32246 3/20 0.74
CCR5 P51681 3/20 0.74
CCR8 P51685 3/20 0.74
CYP1A2 P05177 1/20 0.74
POLB P06746 1/20 0.74
METAP1 P53582 1/20 0.74
BLM P54132 1/20 0.74

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
SCHEMBL1456985 0.97 KDM4E (1.00) KDM4ENPC1RAB9ASMN1; SMN2HTT
SCHEMBL30211369 0.97 KDM4E (1.00) KDM4ENPC1RAB9ASMN1; SMN2HTT
SCHEMBL1456153 0.97 KDM4E (1.00) KDM4ENPC1RAB9ASMN1; SMN2HTT
SCHEMBL4174742 0.95 KDM4E (0.95) KDM4ENPC1RAB9ASMN1; SMN2HTT
SCHEMBL4189211 0.95 KDM4E (0.95) KDM4ENPC1RAB9ASMN1; SMN2HTT
SCHEMBL4181725 0.90 KDM4E (0.86) KDM4ENPC1RAB9ASMN1; SMN2HTT
Dipyridyl SCHEMBL287597 0.89 KDM4E (0.93) KDM4ENPC1RAB9ASMN1; SMN2HTT
Dipyridyl SCHEMBL7900008 0.89 KDM4E (0.93) KDM4ENPC1RAB9ASMN1; SMN2HTT
Dipyridyl SCHEMBL1535115 0.89 KDM4E (0.93) KDM4ENPC1RAB9ASMN1; SMN2HTT
SCHEMBL3753259 0.88 KDM4E (0.82) KDM4ENPC1RAB9ASMN1; SMN2HTT

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-20090036418-A1 Pharmaceutical composition for treatment of cancer containing pyridylpyridazine or transition metal complex thereof as active ingredient INDUSTRY & ACADEMIC COOPERATION IN CHUNGNAM NATIONAL UNIVERSITY, THE (KR) 2009-02-05 US claimed
US-20090036418-A1 Pharmaceutical composition for treatment of cancer containing pyridylpyridazine or transition metal complex thereof as active ingredient INDUSTRY & ACADEMIC COOPERATION IN CHUNGNAM NATIONAL UNIVERSITY, THE (KR) 2009-02-05 US disclosed
WO-2007007943-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OF CANCER COMPRISING PYRIDYLPYRIDAZINE COMPOUNDS OR THEIR TRANSITION METAL COMPLEXES THE INDUSTRY AND ACADEMIC COOPERATION IN CHUNGNAM NATIONAL UNIVERSITY (IAC) (KR) 2007-01-18 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-20090036418-A1 Pharmaceutical composition for treatment of cancer containing pyridylpyridazine or transition metal complex thereof as active ingredient CA5A, PDCD11, PDCD1 KDM4E 1038/4885NPC1 4803/4885RAB9A 4415/4885

“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.