SCHEMBL515543

SCHEMBL515543

CCc1cc(-c2ccncc2)cc(CC)c1-c1c(O)c(C)nn(C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
CLK1 P49759 1/20 0.40
UBE2N P61088 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.36
GRM2 Q14416 1/20 0.36
AURKA O14965 1/20 0.35
TTK P33981 1/20 0.35
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35
CDK8 P49336 2/20 0.35
ACVR1 Q04771 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
HTR7 P34969 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 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
SCHEMBL466412 0.83 MAPT (0.36) HPGDALDH1A1MAPK1CDK8ACVR1
SCHEMBL10288222 0.81 LMNA (0.33) HPGDALDH1A1MAPK1CLK1UBE2N
SCHEMBL510530 0.81 MAPK8 (0.36) KDM4ECDK8ACVR1SMN1; SMN2
SCHEMBL27907825 0.78 CDK8 (0.34) HPGDCDK8ACVR1
SCHEMBL514959 0.77 GABRA1 (0.32) CDK8ACVR1
SCHEMBL16642353 0.76 CRHR1 (0.38) HPGDALDH1A1KDM4ECDK8ACVR1
SCHEMBL919414 0.75 KMT2A (0.37) HPGDALDH1A1SMN1; SMN2
SCHEMBL15935632 0.75 PDE2A (0.38) HPGD
SCHEMBL18131562 0.74 CDK8 (0.38) HPGDALDH1A1KDM4ECDK8ACVR1
SCHEMBL513844 0.73 MAPK8 (0.30) CDK8ACVR1

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-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 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-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS PLPBP, PNPO, PIR HPGD 733/4885ALDH1A1 1293/4885MAPK1 658/4885

“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.