SCHEMBL21296727

SCHEMBL21296727

O=C(Nc1cccc(-c2ccn[nH]2)c1)c1cccc(N2CCCCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 1/20 0.58
IRAK1 P51617 1/20 0.57
CREBBP Q92793 1/20 0.54
BRAF P15056 2/20 0.50
MAPT P10636 4/20 0.49
TSHR P16473 2/20 0.49
ALOX15 P16050 2/20 0.49
BCAT2 O15382 1/20 0.49
CBLB Q13191 1/20 0.49
FLT3 P36888 2/20 0.48
AURKA O14965 1/20 0.47
KDR P35968 1/20 0.47
CD74 P04233 1/20 0.47
MIF P14174 1/20 0.47
OPRK1 P41145 1/20 0.47
ROCK2 O75116 1/20 0.47
TEK Q02763 1/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
NPC1 O15118 3/20 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
SCHEMBL21296730 0.83 IRAK1 (0.54) RPS6KA2IRAK1CREBBPMAPTCBLB
SCHEMBL21296725 0.79 KDR (0.57) RPS6KA2IRAK1CREBBPFLT3AURKA
SCHEMBL21296732 0.79 TLR9 (0.57) RPS6KA2IRAK1CREBBPKDR
SCHEMBL12764413 0.76 TP53 (0.66) BRAFMAPTTSHRALOX15KDR
SCHEMBL21296761 0.76 TLR9 (0.57) RPS6KA2FLT3AURKAKDR
SCHEMBL21296821 0.76 KDR (0.60) RPS6KA2FLT3AURKAKDR
SCHEMBL12764400 0.75 TP53 (0.67) MAPTTSHRALOX15KDRNPC1
SCHEMBL1535782 0.74 NPC1 (0.69) MAPTTSHRALOX15CNR1NPC1
SCHEMBL21345600 0.73 IRAK1 (0.94) RPS6KA2IRAK1CREBBPBCAT2CBLB
SCHEMBL21866219 0.73 LCLAT1 (0.70) MAPTALDH1A1MEN1MAPK1KMT2A

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