SCHEMBL6422003

SCHEMBL6422003

Cc1sc2c(c1C)CNCC2

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNMT P11086 7/20 0.46
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
ADORA1 P30542 2/20 0.33
MEN1 O00255 1/20 0.31
GABRA1 P14867 1/20 0.31
CYP2C19 P33261 1/20 0.31
GABRB2 P47870 1/20 0.31
KMT2A Q03164 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
SCHEMBL13560094 0.84 PNMT (0.38) PNMTADORA1
SCHEMBL13030302 0.83 ADORA1 (0.43) PNMTADORA1MEN1GABRA1CYP2C19
SCHEMBL17377152 0.79 PNMT (0.43) PNMTPDCD1CD274ADORA1
SCHEMBL12883315 0.77 PNMT (0.39) PNMTITGB3ITGA2BPDCD1CD274
SCHEMBL1175364 0.70 ADORA1 (0.53) ITGB3ITGA2BADORA1MEN1KMT2A
SCHEMBL13266269 0.68 PNMT (0.39) PNMT
SCHEMBL17377072 0.68 PNMT (0.36) PNMTMEN1GABRA1CYP2C19GABRB2
SCHEMBL2096219 0.67 CYP1A2 (0.38) MEN1CYP2C19KMT2A
SCHEMBL10142904 0.67 ALDH1A1 (0.38) MEN1KMT2A
SCHEMBL6421619 0.67 PNMT (0.44) PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-27 US disclosed
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-27 US disclosed
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-27 US disclosed
EP-3160466-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-05-03 EP disclosed
WO-2015200677-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-30 WO disclosed
WO-2015200677-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-30 WO disclosed
EP-1057814-B1 TETRAHYDROBENZINDOLE DERIVATIVES MEIJI SEIKA KAISHA (JP) 2005-03-09 EP disclosed
US-6498251-B1 Tetrahydrobenzindole derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2002-12-24 US disclosed
US-6407112-B1 2A,3,4,5-TETRAHYDRO-1H-BENZ(CD)INDOL-2-ONE DERIVATIVES; 5-HYDROXYTRYPTAMINE AGONISTS; SLEEP, CIRCADIAN RHYTHYM, BIPOLAR, AND PSYCHOLOGICAL DISORDER TREATMENT MEIJI SEIKA KAISHA, LTD. (JP) 2002-06-18 US disclosed
EP-1081136-A1 OPTICALLY ACTIVE TETRAHYDROBENZINDOLE DERIVATIVES Meiji Seika Kaisha, Ltd. (JP) 2001-03-07 EP disclosed
EP-1057814-A1 TETRAHYDROBENZINDOLE DERIVATIVES Meiji Seika Kaisha, Ltd. (JP) 2000-12-06 EP 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-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 PNMT 523/4885ITGB3 2869/4885ITGA2B 2630/4885

“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.