SCHEMBL3410965

SCHEMBL3410965

Cc1c(I)nc(N2CCOCC2)c2cc(Cl)sc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 5/20 0.43
HPGD P15428 4/20 0.43
MAPK1 P28482 3/20 0.43
HSD17B10 Q99714 3/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
PIK3CA P42336 5/20 0.37
ALOX15 P16050 2/20 0.36
KMT2A Q03164 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
PIK3R1 P27986 3/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 2/20 0.36
KHK P50053 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
CYP1A2 P05177 2/20 0.35

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
SCHEMBL2111060 0.84 SMN1; SMN2 (0.40) ALDH1A1KDM4EHPGDMAPK1HSD17B10
SCHEMBL14954840 0.75 SMN1; SMN2 (0.40) ALDH1A1KDM4EHPGDMAPK1HSD17B10
SCHEMBL1860764 0.73 NCF1 (0.45) ALDH1A1KDM4EHPGDMAPK1HSD17B10
SCHEMBL4446531 0.71 SMN1; SMN2 (0.51) ALDH1A1KDM4EHPGDMAPK1HSD17B10
SCHEMBL2110314 0.71 PIK3CD (0.50) PIK3CACYP3A4
SCHEMBL4564507 0.70 SMN1; SMN2 (0.39) ALDH1A1KDM4EHPGDMAPK1HSD17B10
SCHEMBL1864899 0.69 PIK3CA (0.51) SMN1; SMN2PIK3CAALOX15PIK3R1POLB
SCHEMBL4566067 0.68 SMN1; SMN2 (0.40) ALDH1A1KDM4EHPGDMAPK1HSD17B10
SCHEMBL4564369 0.68 SMN1; SMN2 (0.39) ALDH1A1KDM4EHPGDMAPK1HSD17B10
SCHEMBL190386 0.67 PIK3CA (0.58) SMN1; SMN2PIK3CAKMT2APIK3R1POLB

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
US-8536161-B2 Combinations of phosphoinositide 3-kinase inhibitor compounds and chemotherapeutic agents for the treatment of hematopoietic malignancies GENENTECH, INC. (US) 2013-09-17 US disclosed
US-20100233164-A1 COMBINATIONS OF PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS FOR THE TREATMENT OF HEMATOPOIETIC MALIGNANCIES GENENTECH, INC. 2010-09-16 US disclosed
EP-2114950-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-11-11 EP disclosed
EP-2046799-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Genentech, Inc. (US) 2009-04-15 EP disclosed
WO-2008073785-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-19 WO disclosed
WO-2007127183-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GENENTECH, INC. (US) 2007-11-08 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-20100233164-A1 COMBINATIONS OF PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS FOR THE TREATMENT OF HEMATOPOIETIC MALIGNANCIES PIK3CA, PIK3CD, MCL1 ALDH1A1 2747/4885KDM4E 4255/4885HPGD 1181/4885

“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.