SCHEMBL213527

SCHEMBL213527

CSc1ccccc1NC(=O)c1[nH]cnc1C(=O)Nc1nc2ccccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.61
NPC1 O15118 9/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
CYP1A2 P05177 1/20 0.51
GAA P10253 1/20 0.48
PKM P14618 6/20 0.48
MAOB P27338 1/20 0.48
ADORA2A P29274 1/20 0.48
KLF5 Q13887 2/20 0.47
OPRK1 P41145 1/20 0.47
LMNA P02545 1/20 0.47
HSP90AA1 P07900 2/20 0.46
MAPT P10636 1/20 0.46
RECQL P46063 1/20 0.46
PAX8 Q06710 1/20 0.45
SCD O00767 1/20 0.45

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
SCHEMBL2735268 0.88 GAA (0.65) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2735272 0.86 ALDH1A1 (0.54) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2735292 0.86 NPC1 (0.51) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL213249 0.85 NPC1 (0.50) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL214740 0.85 NPC1 (0.63) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2735310 0.85 MEN1 (0.50) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2735306 0.85 MEN1 (0.50) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2735338 0.85 KMT2A (0.50) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2735280 0.85 GAA (0.55) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2735271 0.85 MEN1 (0.51) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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 11 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
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP claimed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO 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
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 RAB9A 2213/4885NPC1 3307/4885SMN1; 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.