SCHEMBL21296730

SCHEMBL21296730

O=C(Nc1cccc(-c2ccn[nH]2)c1)c1cccc(CN2CCCCC2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 1/20 0.54
RPS6KA2 Q15349 1/20 0.54
CREBBP Q92793 1/20 0.52
RAB9A P51151 3/20 0.51
HTT P42858 2/20 0.51
GAA P10253 1/20 0.51
CDK5 Q00535 1/20 0.51
CDK5R1 Q15078 1/20 0.51
ROCK2 O75116 2/20 0.51
CHRM3 P20309 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
HIF1A Q16665 1/20 0.49
TRPV1 Q8NER1 3/20 0.48
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL21296727 0.83 RPS6KA2 (0.58) IRAK1RPS6KA2CREBBPRAB9AGAA
SCHEMBL21296732 0.82 TLR9 (0.57) IRAK1RPS6KA2CREBBP
SCHEMBL21296725 0.82 KDR (0.57) IRAK1RPS6KA2CREBBPROCK2
SCHEMBL21296761 0.79 TLR9 (0.57) RPS6KA2
SCHEMBL21296821 0.79 KDR (0.60) RPS6KA2
SCHEMBL21296842 0.74 BRAF (0.49) RAB9AHTTGAACHRM3TRPV1
SCHEMBL21296827 0.73 EPHX2 (0.56)
SCHEMBL21296768 0.73 PRKAB2 (0.56)
SCHEMBL21345600 0.71 IRAK1 (0.94) IRAK1RPS6KA2CREBBPCBLB
SCHEMBL2461162 0.71 USP7 (0.62) RAB9AHTTGAACDK5CDK5R1

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 8 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-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
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 (3 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 IRAK1 27/4885RPS6KA2 549/4885CREBBP 3003/4885
US-20240246943-A1 MULTIFACETED APPROACH TO NOVEL INTERLEUKIN-6 INHIBITORS IL6, IL6ST, IL36G IRAK1 20/4885RPS6KA2 255/4885CREBBP 1722/4885
US-20210206718-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT IL6, IL6ST, IL2 IRAK1 27/4885RPS6KA2 549/4885CREBBP 3003/4885

“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.