SCHEMBL6539229

SCHEMBL6539229

CC(C)n1nc(-c2cc(C(=O)N3CCCC3)cnc2-c2ccccc2)ccc1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.44
ADORA1 P30542 4/20 0.44
HPGD P15428 6/20 0.43
CNR1 P21554 1/20 0.42
PDK2 Q15119 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GABRA5 P31644 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL6539496 0.92 ADORA2A (0.48) ADORA2AADORA1HPGDALDH1A1NPC1
SCHEMBL6538498 0.91 HPGD (0.44) ADORA2AADORA1HPGDALDH1A1GABRA5
SCHEMBL6539037 0.86 NTRK1 (0.43)
SCHEMBL6539043 0.85 TP53 (0.49) HPGDALDH1A1NPC1RAB9A
SCHEMBL6538373 0.84 AKT1 (0.47) ADORA2AADORA1HPGDALDH1A1
SCHEMBL6539298 0.83 BAZ2B (0.49) ALDH1A1
SCHEMBL6538809 0.82 MEN1 (0.44) HPGDALDH1A1GABRA5TSHR
SCHEMBL6538770 0.81 TP53 (0.39) HRH3
SCHEMBL6538462 0.79 HPGDS (0.52) ALDH1A1MAPK1GAAL3MBTL1TSHR
SCHEMBL6539018 0.79 FYN (0.47) L3MBTL1GABRA5

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-20040067955-A1 Pyridazinone compound and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-04-08 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-20040067955-A1 Pyridazinone compound and pharmaceutical use thereof ADORA1, ADORA2A, P2RX5 ADORA2A 2/4885ADORA1 1/4885HPGD 322/4885

“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.