SCHEMBL2111060

SCHEMBL2111060

Cc1c(C=O)nc(N2CCOCC2)c2cc(Cl)sc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 4/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PIK3R1 P27986 4/20 0.38
PIK3CA P42336 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ALDH3A1 P30838 1/20 0.37
ALDH1A3 P47895 1/20 0.37
MAT2A P31153 1/20 0.36
ALOX15 P16050 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL3410965 0.84 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1864535 0.76 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2110314 0.72 PIK3CD (0.50) PIK3CA
SCHEMBL4446531 0.70 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL190241 0.70 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1860764 0.69 NCF1 (0.45) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13059942 0.69 KDM4E (0.61) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14954840 0.69 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL17822188 0.68 PIK3CA (0.39) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL1864899 0.68 PIK3CA (0.51) SMN1; SMN2PIK3R1PIK3CAALOX15POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158625-B2 Bicyclic indole-pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-04-17 US disclosed
US-20100305084-A1 BICYCLIC INDOLE-PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE HOFFMAN-LA ROCHE INC. 2010-12-02 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-20100305084-A1 BICYCLIC INDOLE-PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PI4K2B, PIK3CA, PIK3R2 SMN1; SMN2 3259/4885ALDH1A1 4028/4885KDM4E 4504/4885

“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.