SCHEMBL1860764

SCHEMBL1860764

Nc1cc2sc(Cl)cc2c(N2CCOCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.45
MAPT P10636 6/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
RAB9A P51151 3/20 0.41
GAA P10253 3/20 0.41
NPC1 O15118 2/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
PRKDC P78527 1/20 0.40
PIK3CA P42336 4/20 0.39
PIK3R1 P27986 1/20 0.39

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
SCHEMBL14954840 0.84 SMN1; SMN2 (0.40) MAPTCYP1A2CYP2D6SMN1; SMN2RAB9A
SCHEMBL4554726 0.84 SMN1; SMN2 (0.38) MAPTCYP1A2CYP2D6SMN1; SMN2RAB9A
SCHEMBL4566067 0.83 SMN1; SMN2 (0.40) MAPTCYP1A2CYP2D6SMN1; SMN2RAB9A
SCHEMBL4564507 0.82 SMN1; SMN2 (0.39) MAPTCYP1A2CYP2D6SMN1; SMN2RAB9A
SCHEMBL4555187 0.82 HTT (0.43) MAPTSMN1; SMN2RAB9AGAAKDM4E
SCHEMBL1864535 0.81 SMN1; SMN2 (0.38) MAPTSMN1; SMN2RAB9AGAAALOX15
SCHEMBL3778364 0.81 SMN1; SMN2 (0.38) MAPTCYP1A2CYP2D6SMN1; SMN2RAB9A
SCHEMBL10276093 0.80 RAB9A (0.41) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL4565478 0.80 KDM4E (0.38) MAPTCYP1A2SMN1; SMN2RAB9AALOX15
SCHEMBL4385559 0.80 CSNK2A2 (0.49) MAPTSMN1; SMN2KDM4ETSHRPIK3CA

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 NCF1 641/4885MAPT 4415/4885CYP1A2 4386/4885

“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.