SCHEMBL21296725

SCHEMBL21296725

O=C(Nc1cccc(-c2ccn[nH]2)c1)c1cccc(OCCN2CCCCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.57
PRKAB2 O43741 1/20 0.55
PRKAG1 P54619 1/20 0.55
PRKAA2 P54646 1/20 0.55
PRKAA1 Q13131 1/20 0.55
PRKAG3 Q9UGI9 1/20 0.55
PRKAG2 Q9UGJ0 1/20 0.55
PRKAB1 Q9Y478 1/20 0.55
TLR9 Q9NR96 3/20 0.53
AURKA O14965 1/20 0.51
FLT1 P17948 1/20 0.51
FLT3 P36888 1/20 0.51
IRAK1 P51617 1/20 0.50
RPS6KA2 Q15349 1/20 0.50
CREBBP Q92793 1/20 0.49
TLR7 Q9NYK1 2/20 0.48
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
ROCK2 O75116 1/20 0.48
FAAH O00519 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
SCHEMBL21296732 0.96 TLR9 (0.57) KDRPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL21296821 0.92 KDR (0.60) KDRPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL21296768 0.90 PRKAB2 (0.56) KDRPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL21296761 0.88 TLR9 (0.57) KDRPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL21296827 0.86 EPHX2 (0.56) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL21296730 0.82 IRAK1 (0.54) IRAK1RPS6KA2CREBBPROCK2
SCHEMBL21296727 0.79 RPS6KA2 (0.58) KDRAURKAFLT3IRAK1RPS6KA2
SCHEMBL21296809 0.78 EPHX2 (0.51) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL21296819 0.73 MCHR1 (0.54) KDRPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL21296787 0.73 PRKAB2 (0.50) KDRPRKAB2PRKAG1PRKAA2PRKAA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530181-B2 IL-6 inhibitors and methods of treatment UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-12-20 US claimed
US-20210206718-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2021-07-08 US claimed
WO-2019165158-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-08-29 WO claimed
US-20240246943-A1 MULTIFACETED APPROACH TO NOVEL INTERLEUKIN-6 INHIBITORS University of Florida Research Fooundation, Incorporated (US) 2024-07-25 US disclosed
US-20240016813-A1 METHODS OF TREATING SYMPTOMS OF CORONAVIRUS INFECTION Accencio LLC 2024-01-18 US disclosed
US-20240016813-A1 METHODS OF TREATING SYMPTOMS OF CORONAVIRUS INFECTION Accencio LLC 2024-01-18 US disclosed
US-20240016813-A1 METHODS OF TREATING SYMPTOMS OF CORONAVIRUS INFECTION Accencio LLC 2024-01-18 US disclosed
US-11530181-B2 IL-6 inhibitors and methods of treatment UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-12-20 US disclosed
WO-2022226133-A1 MULTIFACETED APPROACH TO NOVEL INTERLEUKIN-6 INHIBITORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-10-27 WO disclosed
WO-2022056115-A1 METHODS OF TREATING SYMPTOMS OF CORONAVIRUS INFECTION Accencio LLC (US) 2022-03-17 WO disclosed
WO-2022056115-A1 METHODS OF TREATING SYMPTOMS OF CORONAVIRUS INFECTION Accencio LLC (US) 2022-03-17 WO disclosed
US-20210206718-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2021-07-08 US disclosed
WO-2019165158-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-08-29 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 (4 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-11530181-B2 IL-6 inhibitors and methods of treatment IL6, IL6ST, IL2 KDR 1820/4885PRKAB2 1625/4885PRKAG1 1946/4885
US-20240246943-A1 MULTIFACETED APPROACH TO NOVEL INTERLEUKIN-6 INHIBITORS IL6, IL6ST, IL36G KDR 1797/4885PRKAB2 639/4885PRKAG1 783/4885
US-20210206718-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT IL6, IL6ST, IL2 KDR 1820/4885PRKAB2 1625/4885PRKAG1 1946/4885
US-20240016813-A1 METHODS OF TREATING SYMPTOMS OF CORONAVIRUS INFECTION ACE2, ACE, TMPRSS2 KDR 986/4885PRKAB2 1978/4885PRKAG1 2408/4885

“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.