SCHEMBL6989683

SCHEMBL6989683

Brc1[c]ccc(N2CCCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 3/20 0.40
ALDH1A1 P00352 6/20 0.39
L3MBTL1 Q9Y468 6/20 0.39
MAPT P10636 5/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALOX15 P16050 4/20 0.39
GAA P10253 3/20 0.39
S100B P04271 2/20 0.39
HTT P42858 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 2/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
CHKA P35790 1/20 0.38
HSD17B10 Q99714 4/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL5744022 0.98 ALDH1A1 (0.42) TERTALDH1A1L3MBTL1MAPTMEN1
SCHEMBL15475179 0.85 CHRNB2 (0.50) HTTTP53THRBCYP1A2CYP2C19
SCHEMBL15474579 0.85 CHKA (0.45) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL6994158 0.83 LMNA (0.46) ALDH1A1MAPTMEN1KMT2AALOX15
SCHEMBL15475075 0.83 ADRB1 (0.47) ALDH1A1MAPTHTTTP53THRB
SCHEMBL15474512 0.83 MAPT (0.42) ALDH1A1L3MBTL1MAPTALOX15GAA
SCHEMBL15475119 0.83 ADRA2C (0.47) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL3140104 0.78 TERT (0.41) TERTALDH1A1L3MBTL1MAPTMEN1
SCHEMBL15474649 0.77 DRD4 (0.54) L3MBTL1CHKAL3MBTL3
SCHEMBL15474501 0.77 DUSP3 (0.41) ALDH1A1L3MBTL1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021006267-A1 SALT OF PYRAZOLE DERIVATIVE AND PREPARATION OF PYRAZOLE DERIVATIVE グリーン・テック株式会社 2021-01-14 WO disclosed
WO-2020235582-A1 PREVENTIVE AND/OR THERAPEUTIC AGENT FOR MOTOR NEURON DISEASE グリーン・テック株式会社 (JP) 2020-11-26 WO disclosed
EP-3323816-A1 NOVEL PYRAZOLE DERIVATIVE Green Tech Co., Ltd. (JP) 2018-05-23 EP disclosed
US-9399635-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2016-07-26 US disclosed
US-20140088029-A1 NOVEL PYRAZOLE DERIVATIVE PHARMA EIGHT CO., LTD. (JP) 2014-03-27 US disclosed
EP-2698368-A1 NOVEL PYRAZOLE DERIVATIVE Pharma Eight Co. Ltd (JP) 2014-02-19 EP disclosed
CN-100482651-C Diaminothiazoles HOFFMANN LA ROCHE (CH) 2009-04-29 CN disclosed
CN-1487927-A Diaminothiazoles - 2004-04-07 CN disclosed
EP-1358169-A2 DIAMINOTHIAZOLES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASE F. HOFFMANN-LA ROCHE AG (CH) 2003-11-05 EP disclosed
EP-1248787-A2 NOVEL SUBTITUTED PYRAZOLO[4, 3-E]DIAZEPINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, USE AS MEDICINAL PRODUCTS AND PROCESSES FOR PREPARING THEM WARNER-LAMBERT COMPANY (US) 2002-10-16 EP disclosed
WO-2002057261-A2 DIAMINOTHIAZOLES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASE F. HOFFMANN-LA ROCHE AG (CH) 2002-07-25 WO disclosed
WO-2001049689-A2 NOVEL SUBSTITUTED PYRAZOLO[4,3-e]DIAZEPINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, USE AS MEDICINAL PRODUCTS AND PROCESSES FOR PREPARING THEM WARNER-LAMBERT COMPANY (US) 2001-07-12 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-20140088029-A1 NOVEL PYRAZOLE DERIVATIVE PSEN2, MAPT, PSEN1 TERT 2161/4885ALDH1A1 675/4885L3MBTL1 4133/4885

“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.