SCHEMBL18229897

SCHEMBL18229897

C1=CCn2c(cc3ccccc32)C1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.49
HTR2C P28335 5/20 0.49
NOTUM Q6P988 1/20 0.41
SIGMAR1 Q99720 12/20 0.35
HTR1A P08908 1/20 0.34

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
SCHEMBL18911621 0.74 HTR2A (0.73) HTR2AHTR2CNOTUMSIGMAR1HTR1A
SCHEMBL29851785 0.71 HTR2A (0.40) HTR2AHTR2CNOTUMSIGMAR1
SCHEMBL1873666 0.71 NOTUM (0.42) HTR2AHTR2CNOTUMSIGMAR1
SCHEMBL1864062 0.71 HTR2A (0.40) HTR2AHTR2CNOTUMSIGMAR1
SCHEMBL13403405 0.68 NOTUM (0.47) HTR2AHTR2CNOTUMSIGMAR1HTR1A
Hydroxyamine SCHEMBL9656520 0.67 HTR2A (0.37) HTR2AHTR2CNOTUMSIGMAR1
Hydroxyamine SCHEMBL9656514 0.67 NOTUM (0.39) HTR2AHTR2CNOTUMSIGMAR1
SCHEMBL3211491 0.67 HTR2A (0.37) HTR2AHTR2CNOTUM
SCHEMBL761931 0.67 HTR2A (0.64) HTR2AHTR2CNOTUMSIGMAR1HTR1A
SCHEMBL30703022 0.67 HTR2A (0.64) HTR2AHTR2CNOTUMSIGMAR1HTR1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210323976-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2021-10-21 US disclosed
US-20210323976-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2021-10-21 US disclosed
EP-3294712-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD Pharmaceuticals, Inc. (US) 2018-03-21 EP disclosed
WO-2016183278-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. (US) 2016-11-17 WO disclosed
WO-2016183278-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. (US) 2016-11-17 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-20210323976-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 HTR2A 1012/4885HTR2C 642/4885NOTUM 2272/4885

“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.