SCHEMBL21787091

SCHEMBL21787091

CC(C)Cc1cn(-c2cccc(C(F)(F)F)c2)nn1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.70
RXRA P19793 13/20 0.64
GRIN1 Q05586 13/20 0.64
GRIN2B Q13224 13/20 0.64
KCNH2 Q12809 2/20 0.61
KDM1A O60341 1/20 0.54
TRPV1 Q8NER1 1/20 0.51
AMY1A P0DUB6 1/20 0.51

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
SCHEMBL16245808 0.82 NOTUM (1.00) NOTUMRXRAGRIN1GRIN2BKCNH2
Hydrochloric Acid SCHEMBL23451812 0.81 NOTUM (0.97) NOTUMRXRAGRIN1GRIN2BKCNH2
SCHEMBL18965360 0.78 NOTUM (0.62) NOTUM
SCHEMBL19219401 0.78 RXRA (1.00) RXRAGRIN1GRIN2B
SCHEMBL19219405 0.77 RXRA (1.00) RXRAGRIN1GRIN2B
SCHEMBL10447579 0.76 NOTUM (0.54) NOTUMKCNH2
SCHEMBL17502204 0.76 KCNH2 (1.00) NOTUMRXRAGRIN1GRIN2BKCNH2
SCHEMBL19219399 0.75 RXRA (1.00) RXRAGRIN1GRIN2B
SCHEMBL19211422 0.75 NOTUM (0.80) NOTUMRXRAGRIN1GRIN2B
SCHEMBL19219400 0.74 RXRA (1.00) RXRAGRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10981875-B2 Quinolone-based compounds with anticancer activity REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2021-04-20 US disclosed
US-20200071273-A1 QUINOLONE-BASED COMPOUNDS WITH ANTICANCER ACTIVITY UNIVERSITY OF IOWA RESEARCH FOUNDATION 2020-03-05 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 (2 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-20200071273-A1 QUINOLONE-BASED COMPOUNDS WITH ANTICANCER ACTIVITY TOP2A, TOP2B, TOP1 NOTUM 3217/4885RXRA 2513/4885GRIN1 4270/4885
US-10981875-B2 Quinolone-based compounds with anticancer activity TOP2A, TOP2B, TOP1 NOTUM 3217/4885RXRA 2513/4885GRIN1 4270/4885

“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.