Sugi Predict

Sugi Predict / Compounds / SCHEMBL4176950

SCHEMBL4176950

SCHEMBL4176950

Cc1cccc(-c2ccc(-c3cccc(C)n3)nn2)n1.[Ni]

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.76
▸ CCR8 P51685 1/20 0.76
▸ METAP2 P50579 1/20 0.52
▸ CYP2A6 P11509 1/20 0.47
▸ NOS3 P29474 1/20 0.44
▸ NOS2 P35228 1/20 0.44
▸ TGFBR1 P36897 7/20 0.40
▸ RAB9A P51151 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ PKM P14618 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ L3MBTL1 Q9Y468 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
SCHEMBL1456176 0.98 CCR1 (0.80) CCR1CCR8METAP2CYP2A6NOS3
SCHEMBL1456112 0.98 CCR1 (0.80) CCR1CCR8METAP2CYP2A6NOS3
SCHEMBL1456390 0.98 CCR1 (0.80) CCR1CCR8METAP2CYP2A6NOS3
SCHEMBL3753156 0.95 CCR1 (0.76) CCR1CCR8METAP2CYP2A6NOS3
SCHEMBL4169259 0.95 CCR1 (0.76) CCR1CCR8METAP2CYP2A6NOS3
SCHEMBL4174080 0.95 CCR1 (0.76) CCR1CCR8METAP2CYP2A6NOS3
SCHEMBL16715989 0.95 CCR1 (0.76) CCR1CCR8METAP2CYP2A6NOS3
Hydrochloric Acid SCHEMBL4171256 0.93 CCR1 (0.73) CCR1CCR8METAP2CYP2A6NOS3
SCHEMBL4184174 0.91 CCR1 (0.70) CCR1CCR8METAP2CYP2A6NOS3
SCHEMBL4182284 0.91 CCR1 (0.70) CCR1CCR8METAP2CYP2A6NOS3

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-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
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 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 CCR1 3412/4885CCR8 3050/4885METAP2 2752/4885

“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.