Sugi Predict

Sugi Predict / Compounds / SCHEMBL9951845

SCHEMBL9951845

SCHEMBL9951845

CC(C)(C)OC(=O)n1nc(Br)c2cc(C=O)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K4 P45985 1/20 0.40
▸ PTGER4 P35408 4/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ GABRG2 P18507 2/20 0.34
▸ GABRB3 P28472 2/20 0.34
▸ GABRA5 P31644 2/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GABRA1 P14867 1/20 0.32
▸ GABRA2 P47869 1/20 0.32
▸ GABRA6 Q16445 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ FAAH O00519 1/20 0.32
▸ CCNB2 O95067 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CCNB1 P14635 1/20 0.31

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
SCHEMBL29447286 0.85 MAP2K4 (0.40) MAP2K4PTGER4HDAC1NR1H2GABRG2
SCHEMBL15541538 0.82 MAP2K4 (0.43) MAP2K4HDAC1NR1H2GABRG2GABRB3
SCHEMBL5384350 0.81 MAP2K4 (0.38) MAP2K4PTGER4HDAC1GABRG2GABRB3
SCHEMBL9951686 0.80 MAP2K4 (0.40) MAP2K4NR1H2GABRG2GABRB3GABRA5
SCHEMBL29841160 0.80 PTGER4 (0.35) PTGER4NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL18555054 0.80 PTGER4 (0.35) PTGER4NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL2861383 0.79 GABRA1 (0.40) MAP2K4NR1H2GABRG2GABRB3GABRA5
SCHEMBL2861583 0.79 ELANE (0.42) MAP2K4HDAC1GABRG2GABRB3GABRA5
SCHEMBL2674135 0.79 MAP2K4 (0.44) MAP2K4NR1H2NPC1RAB9AFAAH
SCHEMBL1457094 0.78 ELANE (0.47) MAP2K4ELANELMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 — — EP disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 — — US disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 — — US disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 — — US disclosed
EP-2655357-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS Merck Serono S.A. (CH) 2013-10-30 — — EP disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 — — US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 — — US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 — — US disclosed
WO-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 — — WO disclosed
WO-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 — — 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 (1 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-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES NFATC1, IL5, CD4 MAP2K4 3270/4885PTGER4 1282/4885HDAC1 211/4885

“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.