SCHEMBL215203

SCHEMBL215203

NC(=O)c1c(C(=O)Nc2cc(Cl)ccc2Cl)ncn1-c1nc2ccccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK33 Q9BYT3 3/20 0.40
RAB9A P51151 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
NPC1 O15118 3/20 0.39
AURKA O14965 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
POLB P06746 1/20 0.38
KLF5 Q13887 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
ABCB1 P08183 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL214938 0.91 MAPT (0.47) STK33RAB9AMEN1KMT2ANPC1
SCHEMBL214646 0.91 EPHB3 (0.44) STK33MEN1KMT2ATDP1POLB
SCHEMBL215084 0.90 MAPT (0.43) STK33RAB9AMEN1KMT2ANPC1
SCHEMBL214042 0.89 MAPT (0.43) STK33RAB9AMEN1KMT2ANPC1
SCHEMBL213500 0.89 NTRK1 (0.50) RAB9AMEN1KMT2ANPC1TDP1
SCHEMBL214976 0.85 LCK (0.44) RAB9AMEN1KMT2ANPC1TDP1
SCHEMBL214450 0.84 LMNA (0.54) RAB9AMEN1KMT2ANPC1TDP1
SCHEMBL214895 0.84 MAPT (0.41) STK33RAB9AMEN1KMT2ANPC1
SCHEMBL213455 0.83 EGLN1 (0.42) STK33RAB9AMEN1KMT2ANPC1
SCHEMBL214714 0.83 MAPT (0.44) RAB9AMEN1KMT2ANPC1TDP1

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 5 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-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 STK33 731/4885RAB9A 2213/4885MEN1 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.