SCHEMBL2896419

SCHEMBL2896419

FC(F)(F)c1cnc2c[c]ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.38
MAPT P10636 3/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 7/20 0.33
HTT P42858 2/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
AURKA O14965 1/20 0.33
POLB P06746 2/20 0.33
MET P08581 1/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
HPGD P15428 2/20 0.31
HRH3 Q9Y5N1 1/20 0.31
KDM4E B2RXH2 3/20 0.31
LMNA P02545 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
SCHEMBL17442639 0.86 BACE1 (0.34) BACE1MAPTUSP2GAAALDH1A1
SCHEMBL5548783 0.80 MAOB (0.41)
SCHEMBL5779540 0.77 PDGFRB (0.33) BACE1
SCHEMBL2200591 0.74 CYP1A2 (0.52) BACE1MAPTUSP2GAAALDH1A1
Hydrochloric Acid SCHEMBL28009315 0.73 CYP1A2 (0.50) BACE1MAPTUSP2GAAALDH1A1
SCHEMBL3802754 0.73 CYP1A2 (0.55) BACE1ALDH1A1KDM4E
SCHEMBL22502032 0.73 DYRK1A (0.36) BACE1MAPTALDH1A1HTTKMT2A
SCHEMBL5777247 0.73 PDGFRB (0.34) RAB9ANPC1METSMN1; SMN2LMNA
SCHEMBL5779970 0.72
SCHEMBL14026098 0.71 PDGFRB (0.49) BACE1MAPTUSP2GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2160187-B1 SPIROINDALONES MERCK SHARP & DOHME (US) 2013-05-22 EP claimed
US-8309544-B2 Spiroindalones MERCK SHARP & DOHME CORP. (US) 2012-11-13 US claimed
US-20100137297-A1 SPIROINDALONES MERCK SHARP & DOHME LLC 2010-06-03 US claimed
CN-101678011-A Spiro-indolinone compounds MERCK & CO INC 2010-03-24 CN claimed
EP-2160187-A1 SPIROINDALONES Merck Sharp & Dohme Corp. (US) 2010-03-10 EP claimed
WO-2008144266-A1 SPIROINDALONES MERCK & CO., INC. (US) 2008-11-27 WO claimed
EP-2160187-B1 SPIROINDALONES MERCK SHARP & DOHME (US) 2013-05-22 EP disclosed
US-8309544-B2 Spiroindalones MERCK SHARP & DOHME CORP. (US) 2012-11-13 US disclosed
CN-101678011-B Spiro-indolinone compounds MERCK SHARP & DOHME 2012-07-18 CN disclosed
US-20100137297-A1 SPIROINDALONES MERCK SHARP & DOHME LLC 2010-06-03 US disclosed
CN-101678011-A Spiro-indolinone compounds MERCK & CO INC 2010-03-24 CN disclosed
EP-2160187-A1 SPIROINDALONES Merck Sharp & Dohme Corp. (US) 2010-03-10 EP disclosed
WO-2008144266-A1 SPIROINDALONES MERCK & CO., INC. (US) 2008-11-27 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-20100137297-A1 SPIROINDALONES HIF1AN, HIF1A, EGLN2 BACE1 4459/4885MAPT 4621/4885USP2 1745/4885

“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.