SCHEMBL6822103

SCHEMBL6822103

CC(C)n1nc(-c2c(-c3ccccc3)nn3ccc(C(=O)N4CCC(c5ccccc5)CC4)cc23)ccc1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
SCD5 Q86SK9 2/20 0.39
ADORA1 P30542 2/20 0.39
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ADORA2A P29274 2/20 0.37
FASN P49327 1/20 0.37
HSD11B1 P28845 1/20 0.36
PARP1 P09874 1/20 0.36
NAMPT P43490 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
PARP14 Q460N5 1/20 0.36
PARP10 Q53GL7 1/20 0.36
SCD O00767 1/20 0.36

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
SCHEMBL6818751 0.90 ADORA1 (0.42) HPGDADORA1HRH3ADORA2A
SCHEMBL6822497 0.89 HPGD (0.43) HPGDADORA1ADORA2A
SCHEMBL6822068 0.89 HPGD (0.43) HPGDADORA1ADORA2A
SCHEMBL6818425 0.88 ALDH1A1 (0.46) HPGDADORA1HRH3ADORA2APARP1
SCHEMBL6824296 0.88 ADORA1 (0.41) ADORA1HRH3ADORA2APARP1
SCHEMBL6818699 0.84 HSD17B10 (0.41) HPGDADORA1
SCHEMBL6818692 0.84 HSD17B10 (0.41) HPGDADORA1
SCHEMBL6822611 0.83 ALDH1A1 (0.47) HPGD
SCHEMBL6818544 0.83 ADORA1 (0.46) HPGDADORA1
SCHEMBL6822064 0.82 USP2 (0.42) ADORA1HRH3ADORA2A

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 3 patents. 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
EP-1313733-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-28 EP disclosed
WO-2002018382-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-07 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-20040110763-A1 Pyrazolopyridine compound and pharmaceutical use thereof ADRB1, ADRA1D, ADRB3 HPGD 684/4885SCD5 2241/4885ADORA1 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.