SCHEMBL214443

SCHEMBL214443

CCCNC(=O)COc1ccc2[nH]c(NC(=O)c3c(C(N)=O)ncn3-c3ccc(C)cc3C)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
PKM P14618 1/20 0.37
POLB P06746 1/20 0.37
ROCK2 O75116 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
THRB P10828 1/20 0.35
TP53 P04637 3/20 0.34
ALDH1A1 P00352 3/20 0.34
ALOX12 P18054 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL215040 0.91 MEN1 (0.40) MEN1KMT2AMAPTSMN1; SMN2PKM
SCHEMBL214971 0.91 SMN1; SMN2 (0.41) MEN1KMT2AMAPTSMN1; SMN2PKM
SCHEMBL214560 0.89 MEN1 (0.42) MEN1KMT2AMAPTSMN1; SMN2PKM
SCHEMBL213493 0.89 ROCK2 (0.39) MEN1KMT2AMAPTSMN1; SMN2POLB
SCHEMBL216052 0.88 MAPT (0.46) MEN1KMT2AMAPTPOLBROCK2
SCHEMBL213250 0.84 ROCK2 (0.40) MEN1KMT2AMAPTPKMPOLB
SCHEMBL214814 0.82 CHEK2 (0.40) MEN1KMT2APOLBROCK2TP53
Hydrochloric Acid SCHEMBL215295 0.81 CHEK2 (0.40) MEN1KMT2APOLBROCK2TP53
SCHEMBL216399 0.81 LMNA (0.45) MEN1KMT2ASMN1; SMN2POLBROCK2
SCHEMBL213666 0.78 ALDH1A1 (0.38) MEN1KMT2AMAPTSMN1; SMN2POLB

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 MEN1 3504/4885KMT2A 437/4885MAPT 2138/4885

“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.