SCHEMBL13490130

SCHEMBL13490130

Cn1c(NC(=O)C(F)(F)F)nc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.62
▸ NPC1 O15118 7/20 0.62
▸ MAPT P10636 5/20 0.57
▸ KDM4E B2RXH2 3/20 0.57
▸ HSD17B10 Q99714 3/20 0.57
▸ HTT P42858 3/20 0.57
▸ TSHR P16473 3/20 0.57
▸ LMNA P02545 2/20 0.57
▸ SMN1; SMN2 Q16637 7/20 0.54
▸ ALDH1A1 P00352 5/20 0.54
▸ TP53 P04637 3/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ PDE11A Q9HCR9 1/20 0.52
▸ PDE10A Q9Y233 1/20 0.52
▸ NPY5R Q15761 1/20 0.50
▸ GAA P10253 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MAPK1 P28482 1/20 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
SCHEMBL3771751 0.81 RAB9A (0.74) RAB9ANPC1MAPTKDM4EHSD17B10
SCHEMBL2175321 0.81 RAB9A (0.69) RAB9ANPC1MAPTKDM4EHSD17B10
SCHEMBL10005000 0.79 RAB9A (0.59) RAB9ANPC1MAPTKDM4EHSD17B10
SCHEMBL14773948 0.77 RAB9A (1.00) RAB9ANPC1MAPTKDM4EHSD17B10
SCHEMBL29510945 0.77 RAB9A (1.00) RAB9ANPC1MAPTKDM4EHSD17B10
SCHEMBL4867130 0.77 RAB9A (0.59) RAB9ANPC1MAPTKDM4EHSD17B10
SCHEMBL7932793 0.76 RAB9A (0.62) RAB9ANPC1MAPTKDM4EHSD17B10
SCHEMBL4004290 0.76 RAB9A (0.62) RAB9ANPC1MAPTKDM4EHSD17B10
SCHEMBL30831166 0.75 SMN1; SMN2 (0.49) RAB9ANPC1MAPTKDM4EHTT
SCHEMBL30831165 0.75 SMN1; SMN2 (0.49) RAB9ANPC1MAPTKDM4EHTT

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
US-9701691-B2 Thienopyrimidine compounds HOFFMAN-LA ROCHE INC. (US) 2017-07-11 — — US disclosed
EP-2802590-B1 THIENOPYRIMIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-03-01 — — EP disclosed
US-9284278-B2 Electroluminescent metal complex BASF SE (DE) 2016-03-15 — — US disclosed
EP-2802590-A1 THIENOPYRIMIDINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2014-11-19 — — EP disclosed
EP-2139907-B1 ELECTROLUMINESCENT METAL COMPLEX BASF SE (DE) 2013-08-14 — — EP disclosed
WO-2013104575-A1 THIENOPYRIMIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2013-07-18 — — WO disclosed
US-20130178460-A1 THIENOPYRIMIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2013-07-11 — — US disclosed
US-20100044688-A1 ELECTROLUMINESCENT METAL COMPLEX CIBA CORPORATION (US) 2010-02-25 — — US disclosed
US-20100044688-A1 ELECTROLUMINESCENT METAL COMPLEX CIBA CORPORATION (US) 2010-02-25 — — US disclosed
WO-2008098851-A1 ELECTROLUMINESCENT METAL COMPLEX BASF SE (CH) 2008-08-21 — — 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 (2 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-20130178460-A1 THIENOPYRIMIDINE COMPOUNDS SYK, BTK, LCK RAB9A 3298/4885NPC1 4622/4885MAPT 3770/4885
US-20100044688-A1 ELECTROLUMINESCENT METAL COMPLEX LDHA, LDHB, NRP1 RAB9A 4593/4885NPC1 3478/4885MAPT 4595/4885

“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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