SCHEMBL215115

SCHEMBL215115

NC(=O)c1c(C(=O)NC2CCCCC2)ncn1-c1nc2ccccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
POLB P06746 2/20 0.44
APEX1 P27695 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMYD3 Q9H7B4 1/20 0.43
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAOB P27338 1/20 0.40
PARP1 P09874 1/20 0.40
PDE10A Q9Y233 1/20 0.40
SPR P35270 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL215769 0.91 PARP1 (0.46) SMN1; SMN2NPC1RAB9APOLBAPEX1
SCHEMBL213807 0.87 CHEK2 (0.43) SMN1; SMN2POLBLMNANPSR1GAA
SCHEMBL213906 0.86 CNR1 (0.44) SMN1; SMN2NPC1RAB9APOLBLMNA
SCHEMBL214773 0.78 KDM4E (0.45) SMN1; SMN2POLBTDP1LMNANPSR1
SCHEMBL213970 0.78 SMN1; SMN2 (0.48) SMN1; SMN2RAB9APOLBGAAMAPT
SCHEMBL215132 0.77 CYP3A4 (0.44) SMN1; SMN2NPC1RAB9APOLBTDP1
SCHEMBL214646 0.77 EPHB3 (0.44) SMN1; SMN2POLBTDP1LMNANPSR1
SCHEMBL214714 0.77 MAPT (0.44) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL216069 0.77 MPO (0.47) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL214976 0.77 LCK (0.44) SMN1; SMN2NPC1RAB9ATDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US claimed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US claimed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 SMN1; SMN2 2516/4885NPC1 3307/4885RAB9A 2213/4885

“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.