SCHEMBL215727

SCHEMBL215727

NCCc1ccccc1-n1cnc(C(=O)Nc2nc3ccccc3[nH]2)c1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
NPC1 O15118 9/20 0.44
RAB9A P51151 9/20 0.44
PKM P14618 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
MAOB P27338 1/20 0.44
ADORA2A P29274 1/20 0.44
LMNA P02545 3/20 0.44
TP53 P04637 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 3/20 0.42
KLF5 Q13887 2/20 0.41
KDM4E B2RXH2 2/20 0.41
SCD O00767 1/20 0.41
OPRK1 P41145 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL215368 0.83 NPC1 (0.48) CYP3A4NPC1RAB9APKMSMN1; SMN2
SCHEMBL214872 0.74 MAPT (0.42) CYP3A4NPC1RAB9APKMSMN1; SMN2
SCHEMBL213387 0.73 RAB9A (0.49) CYP3A4NPC1RAB9APKMSMN1; SMN2
SCHEMBL215043 0.73 KDM4E (0.38) CYP3A4NPC1RAB9ASMN1; SMN2TP53
SCHEMBL213793 0.73 RAB9A (0.43) CYP3A4NPC1RAB9APKMSMN1; SMN2
Hydrochloric Acid SCHEMBL215093 0.73 RAB9A (0.42) CYP3A4NPC1RAB9APKMSMN1; SMN2
SCHEMBL214164 0.72 ALDH1A1 (0.38) CYP3A4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2735317 0.72 GAA (0.48) CYP3A4NPC1RAB9APKMSMN1; SMN2
SCHEMBL215132 0.71 CYP3A4 (0.44) CYP3A4NPC1RAB9APKMSMN1; SMN2
SCHEMBL217372 0.71 HCRTR1 (0.41) CYP3A4RAB9ALMNAMAPTRECQL

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
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-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP 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 CYP3A4 3666/4885NPC1 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.