SCHEMBL18149378

SCHEMBL18149378

OC[C@@H]1CCCN1c1ncc(Br)cn1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.51
▸ MKNK1 Q9BUB5 1/20 0.47
▸ MKNK2 Q9HBH9 1/20 0.47
▸ CDK1 P06493 5/20 0.44
▸ ADORA2A P29274 3/20 0.43
▸ ADORA1 P30542 3/20 0.43
▸ ADORA3 P0DMS8 2/20 0.43
▸ ADORA2B P29275 1/20 0.43
▸ AOC3 Q16853 2/20 0.43
▸ CCNE1 P24864 3/20 0.40
▸ CDK2 P24941 3/20 0.40
▸ CCNB1 P14635 2/20 0.40
▸ TYMP P19971 1/20 0.39
▸ ACVR1 Q04771 1/20 0.39
▸ CCNE2 O96020 1/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ CCND1 P24385 1/20 0.38

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
SCHEMBL18150064 1.00 HDAC6 (0.51) HDAC6MKNK1MKNK2CDK1ADORA2A
SCHEMBL18149381 1.00 HDAC6 (0.51) HDAC6MKNK1MKNK2CDK1ADORA2A
SCHEMBL16755648 0.81 HDAC6 (0.49) HDAC6MKNK1MKNK2CDK1ADORA2A
SCHEMBL21398251 0.81 MKNK1 (0.48) HDAC6MKNK1MKNK2CDK1ADORA2A
SCHEMBL21398065 0.81 MKNK1 (0.48) HDAC6MKNK1MKNK2CDK1ADORA2A
SCHEMBL18145760 0.80 ADRA1A (0.51) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL16879178 0.80 MKNK1 (0.47) HDAC6MKNK1MKNK2CDK1ADORA2A
SCHEMBL16888920 0.80 MKNK1 (0.47) HDAC6MKNK1MKNK2CDK1ADORA2A
SCHEMBL15205316 0.80 MKNK1 (0.44) HDAC6MKNK1MKNK2CDK1ADORA2A
SCHEMBL21812384 0.80 MKNK1 (0.44) HDAC6MKNK1MKNK2CDK1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 — — US disclosed
US-10160748-B2 Indazolones as modulators of tnf signaling ABBVIE INC. (US) 2018-12-25 — — US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 — — US disclosed
US-20180086737-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-03-29 — — US disclosed
US-9856253-B2 Tricyclic modulators of TNF signaling ABBVIE, INC. (US) 2018-01-02 — — US disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 — — US disclosed
US-20160304496-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 — — 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 (6 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-20160304496-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING TNF, CD40, TNFRSF1A HDAC6 1608/4885MKNK1 250/4885MKNK2 303/4885
US-20180086737-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING TNF, CD40, TNFRSF1A HDAC6 1608/4885MKNK1 250/4885MKNK2 303/4885
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 HDAC6 1141/4885MKNK1 712/4885MKNK2 995/4885
US-10160748-B2 Indazolones as modulators of tnf signaling TNF, CD40, TNFRSF1A HDAC6 1608/4885MKNK1 250/4885MKNK2 303/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 HDAC6 1141/4885MKNK1 712/4885MKNK2 995/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 HDAC6 1141/4885MKNK1 712/4885MKNK2 995/4885

“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.

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