SCHEMBL6822276

SCHEMBL6822276

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.46
MAPK1 P28482 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CMKLR1 Q99788 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
STAT1 P42224 1/20 0.36
KMT2A Q03164 1/20 0.36
IGF1R P08069 2/20 0.36
TP53 P04637 1/20 0.36
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
FABP3 P05413 1/20 0.35
FABP1 P07148 1/20 0.35
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
EGFR P00533 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35

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
SCHEMBL6818702 0.94 ADORA1 (0.46) ADORA1MAPK1CMKLR1FABP3FABP1
SCHEMBL6821916 0.90 ADORA1 (0.42) ADORA1MAPK1NPC1RAB9ACMKLR1
SCHEMBL6822034 0.89 NPC1 (0.42) ADORA1NPC1RAB9ACMKLR1ALDH1A1
SCHEMBL6821896 0.89 SMN1; SMN2 (0.43) ADORA1NPC1RAB9AALDH1A1KDM4E
SCHEMBL6822503 0.89 ADORA1 (0.41) ADORA1ALDH1A1HPGD
SCHEMBL6822058 0.89 ADORA1 (0.42) ADORA1CMKLR1IGF1RTP53EGFR
SCHEMBL6821443 0.88 LMNA (0.43) ADORA1NPC1CMKLR1ALDH1A1KMT2A
SCHEMBL6818735 0.87 ALDH1A1 (0.42) ADORA1NPC1RAB9AALDH1A1KDM4E
SCHEMBL6818748 0.87 ADORA1 (0.40) ADORA1MAPK1ALDH1A1KMT2AUSP2
SCHEMBL6822546 0.87 ADORA1 (0.41) ADORA1CMKLR1KMT2AIGF1REGFR

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 ADORA1 22/4885MAPK1 1491/4885NPC1 1281/4885

“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.