SCHEMBL214433

SCHEMBL214433

NC(=O)c1c(C(=O)Nc2c(O)cccc2F)ncn1-c1nc2ccccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
NPSR1 Q6W5P4 4/20 0.42
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 3/20 0.42
CYP3A4 P08684 3/20 0.42
KDM4E B2RXH2 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP2D6 P10635 1/20 0.42
POLB P06746 3/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 5/20 0.39
TP53 P04637 3/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 2/20 0.39
PKM P14618 2/20 0.39

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
SCHEMBL215132 0.94 CYP3A4 (0.44) MEN1KMT2ANPSR1MAPTALDH1A1
SCHEMBL213712 0.90 MAPT (0.46) MEN1KMT2ANPSR1MAPTALDH1A1
SCHEMBL214034 0.88 HTT (0.44) MEN1KMT2ANPSR1MAPTALDH1A1
SCHEMBL214976 0.85 LCK (0.44) MEN1KMT2ANPSR1MAPTALDH1A1
SCHEMBL215674 0.82 LMNA (0.47) KMT2AMAPTHTTTDP1POLB
SCHEMBL214739 0.81 KMT2A (0.48) MEN1KMT2ANPSR1MAPTALDH1A1
SCHEMBL215084 0.81 MAPT (0.43) MEN1KMT2ANPSR1MAPTALDH1A1
SCHEMBL213658 0.80 MAPT (0.39) MEN1KMT2ANPSR1MAPTALDH1A1
SCHEMBL215644 0.80 KDM4E (0.41) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL215903 0.80 MAPT (0.54) MEN1KMT2ANPSR1MAPTALDH1A1

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
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 437/4885NPSR1 4218/4885

“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.