SCHEMBL1860558

SCHEMBL1860558

CCC(=O)Nc1cc2sc(Cl)cc2c(N2CCOCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
JAK3 P52333 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
APOBEC3A P31941 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.37
CLK1 P49759 1/20 0.37
RAB9A P51151 2/20 0.37

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
SCHEMBL1858728 0.81 NPC1 (0.51) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
SCHEMBL4385559 0.76 CSNK2A2 (0.49) SMN1; SMN2MAPTPOLBPIK3R1PIK3CA
SCHEMBL4555187 0.75 HTT (0.43) SMN1; SMN2ALDH1A1MAPTLMNAHTT
SCHEMBL1860764 0.74 NCF1 (0.45) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
SCHEMBL14954840 0.73 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1NPC1MAPTLMNA
SCHEMBL4564369 0.73 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1MAPTLMNARAB9A
SCHEMBL3778364 0.72 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1NPC1MAPTLMNA
SCHEMBL4554726 0.72 SMN1; SMN2 (0.38) SMN1; SMN2JAK3ALDH1A1NPC1MAPT
SCHEMBL1864535 0.72 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1MAPTLMNAPOLB
SCHEMBL4252078 0.72 NPC1 (0.46) JAK3MEN1KMT2ANPC1MAPT

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-8450315-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-05-28 US disclosed
US-20110105464-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2011-05-05 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-20110105464-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PI4KB, PIK3CB, PIK3C2B SHMT2 1467/4885SMN1; SMN2 1342/4885JAK3 471/4885

“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.