SCHEMBL4167622

SCHEMBL4167622

Cc1cccc(-c2nnc(-c3cccc(C)n3)nn2)n1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.71
CCR8 P51685 1/20 0.71
CYP2A6 P11509 1/20 0.48
METAP2 P50579 1/20 0.48
NOS3 P29474 1/20 0.46
NOS2 P35228 1/20 0.46
TGFBR1 P36897 7/20 0.45
IDH1 O75874 1/20 0.41
TP53 P04637 1/20 0.41
MAPK14 Q16539 2/20 0.41
GRM5 P41594 1/20 0.40
HIF1A Q16665 1/20 0.38
TGFBR2 P37173 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3389045 0.85 CCR1 (0.58) CCR1CCR8CYP2A6METAP2NOS3
SCHEMBL29388304 0.84 CCR1 (1.00) CCR1CCR8CYP2A6METAP2NOS3
SCHEMBL196966 0.84 CCR1 (1.00) CCR1CCR8CYP2A6METAP2NOS3
SCHEMBL30511194 0.84 CCR1 (1.00) CCR1CCR8CYP2A6METAP2NOS3
SCHEMBL20557390 0.81 CCR1 (0.94) CCR1CCR8CYP2A6METAP2NOS3
SCHEMBL3422291 0.81 CCR1 (0.94) CCR1CCR8CYP2A6METAP2NOS3
SCHEMBL29751919 0.81 CCR1 (0.94) CCR1CCR8CYP2A6METAP2NOS3
SCHEMBL29751933 0.81 CCR1 (0.94) CCR1CCR8CYP2A6METAP2NOS3
SCHEMBL3423401 0.81 CCR1 (0.94) CCR1CCR8CYP2A6METAP2NOS3
SCHEMBL3409467 0.81 CCR1 (0.65) CCR1CCR8CYP2A6METAP2NOS3

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 2 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 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 3050/4885CYP2A6 665/4885

“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.