SCHEMBL21101598

SCHEMBL21101598

CN(C/C=C/C(=O)C(C)(C)C)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LSS P48449 3/20 0.37
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL21101593 0.92 KDM4E (0.44) LSSHTR2AHTR2CHTR2BSIGMAR1
SCHEMBL21102457 0.81 KDM4E (0.38) LSSHTR2AHTR2CHTR2BSIGMAR1
SCHEMBL14575869 0.79 HTR2A (0.46) LSSHTR2AHTR2CHTR2BSIGMAR1
SCHEMBL15171151 0.79 LSS (0.40) LSSHTR2AHTR2CHTR2BSIGMAR1
SCHEMBL14575871 0.79 HTR2A (0.46) LSSHTR2AHTR2CHTR2BSIGMAR1
SCHEMBL21101599 0.79 SLC6A2 (0.34) SIGMAR1
SCHEMBL24541657 0.78 LSS (0.38) LSSHTR2AHTR2CHTR2BSIGMAR1
Hydrochloric Acid SCHEMBL15136222 0.78 HTR2A (0.45) LSSHTR2AHTR2CHTR2BSIGMAR1
Hydrochloric Acid SCHEMBL15136221 0.78 HTR2A (0.45) LSSHTR2AHTR2CHTR2BSIGMAR1
SCHEMBL14617850 0.78 HTR2A (0.39) LSSHTR2AHTR2CHTR2BSIGMAR1

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-10323037-B2 Aminopyridazinone compounds as protein kinase inhibitors JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2019-06-18 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-10323037-B2 Aminopyridazinone compounds as protein kinase inhibitors SSB, MAPKAPK5, BCL9 LSS 3394/4885HTR2A 3926/4885HTR2C 3942/4885

“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.