SCHEMBL6822034

SCHEMBL6822034

CCN(CC)C(=O)COc1ccn2nc(-c3ccccc3)c(-c3ccc(=O)n(C(C)C)n3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ADORA1 P30542 1/20 0.41
PFKFB3 Q16875 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
FABP3 P05413 1/20 0.35
FABP1 P07148 1/20 0.35
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
CMKLR1 Q99788 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PTGER1 P34995 1/20 0.34

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
SCHEMBL6821916 0.92 ADORA1 (0.42) NPC1RAB9AADORA1SMN1; SMN2FABP3
SCHEMBL6822492 0.91 ADORA1 (0.38) NPC1RAB9AADORA1LMNAFABP3
SCHEMBL6818702 0.90 ADORA1 (0.46) ADORA1FABP3FABP1FABP4FABP5
SCHEMBL6822276 0.89 ADORA1 (0.46) NPC1RAB9AADORA1FABP3FABP1
SCHEMBL6822058 0.89 ADORA1 (0.42) ADORA1LMNACMKLR1PTGER1
SCHEMBL6822546 0.85 ADORA1 (0.41) ADORA1CMKLR1
SCHEMBL6822503 0.85 ADORA1 (0.41) ADORA1SMN1; SMN2LMNAALDH1A1
SCHEMBL6821896 0.85 SMN1; SMN2 (0.43) NPC1RAB9AADORA1SMN1; SMN2LMNA
SCHEMBL6822553 0.85 ADORA1 (0.38) ADORA1SMN1; SMN2LMNATSHRALDH1A1
SCHEMBL6822138 0.85 ADORA1 (0.45) ADORA1TSHR

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-20040110763-A1 Pyrazolopyridine compound and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 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-20040110763-A1 Pyrazolopyridine compound and pharmaceutical use thereof ADRB1, ADRA1D, ADRB3 NPC1 1281/4885RAB9A 1138/4885ADORA1 22/4885

“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.