SCHEMBL213387

SCHEMBL213387

Cc1ccc(N)cc1-n1cnc(C(N)=O)c1C(=O)Nc1nc2ccccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.49
NPC1 O15118 11/20 0.49
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
PKM P14618 3/20 0.45
OPRK1 P41145 1/20 0.45
KLF5 Q13887 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
CYP3A4 P08684 1/20 0.45
SMN1; SMN2 Q16637 6/20 0.43
MAOB P27338 1/20 0.43
ADORA2A P29274 1/20 0.43
TP53 P04637 1/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
RECQL P46063 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
SCHEMBL213237 0.86 RAB9A (0.43) RAB9ANPC1MEN1KMT2APKM
SCHEMBL214926 0.79 RAB9A (0.37) RAB9ANPC1MEN1KMT2AKLF5
SCHEMBL214517 0.79 RAB9A (0.37) RAB9ANPC1MEN1KMT2APKM
SCHEMBL215845 0.78 IRAK4 (0.39) RAB9ANPC1MEN1KMT2APKM
SCHEMBL215374 0.78 ABL1 (0.37) RAB9ANPC1MEN1KMT2AIRAK4
SCHEMBL214609 0.77 MAOB (0.46) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL215368 0.75 NPC1 (0.48) RAB9ANPC1MEN1KMT2APKM
SCHEMBL213884 0.75 HCAR1 (0.33) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL213365 0.75 TP53 (0.52) RAB9ANPC1MEN1KMT2APKM
SCHEMBL216298 0.75 HRH4 (0.43)

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 6 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

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 3307/4885MEN1 3504/4885

“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.