SCHEMBL2739255

SCHEMBL2739255

O=C1Nc2cc(Br)ccc2C1=Cc1cccc(Cl)c1F

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.47
▸ KDR P35968 1/20 0.46
▸ PDGFRB P09619 2/20 0.43
▸ MDM2 Q00987 2/20 0.42
▸ TGM2 P21980 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ RPS6KA3 P51812 1/20 0.42
▸ PLK4 O00444 1/20 0.41
▸ PLK1 P53350 1/20 0.41
▸ RET P07949 1/20 0.41

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
SCHEMBL29776573 0.88 MDM2 (0.53) NPC1PDGFRBMDM2TGM2MEN1
SCHEMBL223844 0.88 MDM2 (0.53) NPC1PDGFRBMDM2TGM2MEN1
SCHEMBL29443894 0.88 MDM2 (0.53) NPC1PDGFRBMDM2TGM2MEN1
SCHEMBL250345 0.88 MDM2 (0.53) NPC1PDGFRBMDM2TGM2MEN1
SCHEMBL6822268 0.85 NPC1 (0.47) NPC1PDGFRBMDM2MEN1KMT2A
SCHEMBL14658996 0.85 MEN1 (0.52) NPC1KDRPDGFRBMDM2MEN1
SCHEMBL14658998 0.85 MEN1 (0.52) NPC1KDRPDGFRBMDM2MEN1
SCHEMBL13469206 0.85 PIM1 (0.49) NPC1PDGFRBMDM2TGM2MEN1
SCHEMBL28695546 0.83 NPC1 (0.45) NPC1PDGFRBMDM2MEN1KMT2A
SCHEMBL29875292 0.83 NPC1 (0.45) NPC1PDGFRBMDM2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507243-B1 SPIROINDOLINONE PYRROLIDINES HOFFMANN LA ROCHE (CH) 2015-06-10 — — EP disclosed
US-8088815-B2 Spiroindolinone pyrrolidines HOFFMAN-LA ROCHE INC. (US) 2012-01-03 — — US disclosed
US-8088815-B2 Spiroindolinone pyrrolidines HOFFMAN-LA ROCHE INC. (US) 2012-01-03 — — US disclosed
WO-2011067185-A1 SPIROINDOLINONE PYRROLIDINES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 — — WO disclosed
US-20110130398-A1 SPIROINDOLINONE PYRROLIDINES BARTKOVITZ DAVID JOSEPH 2011-06-02 — — US disclosed
US-20110130398-A1 SPIROINDOLINONE PYRROLIDINES BARTKOVITZ DAVID JOSEPH 2011-06-02 — — US 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-20110130398-A1 SPIROINDOLINONE PYRROLIDINES RPS4Y1, RB1, RPS4X NPC1 1194/4885KDR 789/4885PDGFRB 1967/4885

“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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