SCHEMBL221145

SCHEMBL221145

COc1cc(-n2cnnn2)ccc1N

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
KMT2A Q03164 2/20 0.51
HTT P42858 2/20 0.51
MEN1 O00255 1/20 0.51
PKM P14618 1/20 0.51
TSHR P16473 2/20 0.50
NOTUM Q6P988 4/20 0.49
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 2/20 0.45
F2 P00734 1/20 0.45
PTGS2 P35354 2/20 0.44
CYP3A4 P08684 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL17725702 0.83 KMT2A (0.55) ALDH1A1KMT2AHTTMEN1PKM
SCHEMBL24769728 0.80 NOTUM (0.58) ALDH1A1HTTNOTUMLMNATP53
SCHEMBL12970651 0.80 RXFP1 (0.56) ALDH1A1KMT2AHTTMEN1PKM
SCHEMBL19398291 0.79 KMT2A (0.55) ALDH1A1KMT2AHTTMEN1PKM
SCHEMBL10463551 0.79 ALDH1A1 (0.57) ALDH1A1HTTNOTUMLMNATP53
SCHEMBL8530014 0.78 ALDH1A1 (0.54) ALDH1A1KMT2AHTTMEN1PKM
SCHEMBL8179017 0.78 ALDH1A1 (0.54) ALDH1A1KMT2AHTTMEN1PKM
SCHEMBL8535594 0.78 ALDH1A1 (0.53) ALDH1A1KMT2AHTTMEN1PKM
SCHEMBL16122122 0.78 ALDH1A1 (0.50) ALDH1A1KMT2AHTTMEN1PKM
SCHEMBL19381543 0.78 ALDH1A1 (0.50) ALDH1A1KMT2AHTTMEN1PKM

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 claimed
EP-2507243-B1 SPIROINDOLINONE PYRROLIDINES HOFFMANN LA ROCHE (CH) 2015-06-10 EP disclosed
EP-2507243-A1 SPIROINDOLINONE PYRROLIDINES F. Hoffmann-La Roche AG (CH) 2012-10-10 EP 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

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 ALDH1A1 416/4885KMT2A 1856/4885HTT 3176/4885

“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.