SCHEMBL26501879

SCHEMBL26501879

CCSN1CCN(c2ccc(-c3n[nH]c4cc(=O)n(-c5c(C)cccc5F)nc34)cn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 6/20 0.37
TNKS O95271 1/20 0.36
ACVR1 Q04771 3/20 0.36
CNR2 P34972 2/20 0.36
PLK4 O00444 2/20 0.35
FLT3 P36888 2/20 0.35
PIM1 P11309 2/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
AURKA O14965 2/20 0.34
MAPK1 P28482 1/20 0.34
KDR P35968 1/20 0.33
ETV6 P41212 1/20 0.33
MAP4K1 Q92918 1/20 0.33

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
SCHEMBL24418437 0.91 NTRK1 (0.40) NTRK1TNKSACVR1CNR2PLK4
SCHEMBL24418315 0.90 TNKS (0.46) TNKSACVR1PLK4FLT3AURKA
SCHEMBL29606913 0.90 TNKS (0.46) TNKSACVR1PLK4FLT3AURKA
SCHEMBL24418445 0.89 LRRK2 (0.38) NTRK1TNKSACVR1PLK4FLT3
SCHEMBL26351325 0.88 AURKA (0.44) NTRK1TNKSACVR1PLK4FLT3
SCHEMBL24418646 0.88 TLR9 (0.41) NTRK1TNKSACVR1PLK4FLT3
SCHEMBL24418379 0.87 WNT3A (0.42) NTRK1TNKSACVR1PIM1MAPK1
SCHEMBL24418443 0.86 JAK2 (0.38) NTRK1TNKSACVR1CNR2PLK4
SCHEMBL24418647 0.86 FGFR2 (0.38) NTRK1TNKSACVR1PLK4FLT3
SCHEMBL24418383 0.85 PIM1 (0.39) NTRK1TNKSACVR1CNR2PLK4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322789-A1 PYRAZOLOPYRIDAZINONE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF BROADENBIO CO., LTD. (CN) 2023-10-12 US 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-20230322789-A1 PYRAZOLOPYRIDAZINONE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF PDXK, CMPK1, GCK NTRK1 1243/4885TNKS 200/4885ACVR1 2808/4885

“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.