SCHEMBL18029589

SCHEMBL18029589

COc1ccccc1-n1cc(-c2ccccc2C)nn1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 1/20 0.50
▸ GSK3B P49841 1/20 0.50
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA5A P35218 1/20 0.49
▸ CA5B Q9Y2D0 1/20 0.49
▸ KCNN4 O15554 1/20 0.47

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
SCHEMBL23879988 0.89 FLT3 (0.46) FLT3GSK3BCA1CA2CA5A
SCHEMBL23880020 0.86 CA1 (0.49) CA1CA2CA5ACA5B
SCHEMBL23880019 0.85 ALDH1A1 (0.48) CA1CA2CA5ACA5B
SCHEMBL23879983 0.85 CA1 (0.47) CA1CA2CA5ACA5B
SCHEMBL28319778 0.85 FLT3 (0.67) FLT3GSK3BCA1CA2CA5A
SCHEMBL20533135 0.84 GRM5 (0.44) —
SCHEMBL20532909 0.84 KDM1A (0.45) —
SCHEMBL19869251 0.82 GRM5 (0.43) —
SCHEMBL23880005 0.80 CA1 (0.44) CA1CA2CA5ACA5BKCNN4
SCHEMBL22340587 0.80 BCHE (0.49) FLT3CA1CA2CA5ACA5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136301-B2 Broad spectrum antiviral compounds and uses thereof The Regents of the University of California, A California Corporation et al. (US) 2021-10-05 — — US disclosed
US-11130731-B2 Sulfonylureas and related compounds and use of same THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2021-09-28 — — US disclosed
WO-2016131098-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME THE UNIVERSITY OF QUEENSLAND (AU) 2016-08-25 — — 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 (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-11136301-B2 Broad spectrum antiviral compounds and uses thereof MAVS, EIF2AK2, ZC3HAV1 FLT3 1919/4885GSK3B 3145/4885CA1 4846/4885
US-11130731-B2 Sulfonylureas and related compounds and use of same NLRP3, PYCARD, IAPP FLT3 1408/4885GSK3B 2273/4885CA1 4141/4885

“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.

Send feedback