SCHEMBL213978

SCHEMBL213978

O=C(Nc1nc2ccccc2[nH]1)c1[nH]cnc1C(=O)N1CCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.45
RAB9A P51151 9/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
PKM P14618 4/20 0.45
MAOB P27338 1/20 0.45
ADORA2A P29274 1/20 0.45
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 3/20 0.42
GAA P10253 2/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TP53 P04637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
SCD O00767 1/20 0.42
OPRK1 P41145 1/20 0.42
KLF5 Q13887 1/20 0.42

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
SCHEMBL214928 0.94 NPC1 (0.43) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL2735313 0.75 RAB9A (0.47) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL2735285 0.75 KMT2A (0.44) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL4900818 0.74 LMNA (0.51) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL2735295 0.73 MEN1 (0.50) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL214024 0.73 MEN1 (0.42) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL2735291 0.73 NPC1 (0.64) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL2735296 0.72 MAPT (0.68) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL2735343 0.72 NPC1 (0.58) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL2735344 0.72 NPC1 (0.52) NPC1RAB9ASMN1; SMN2PKMMAOB

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 8 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-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
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
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 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 NPC1 3307/4885RAB9A 2213/4885SMN1; SMN2 2516/4885

“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.