SCHEMBL215784

SCHEMBL215784

Cc1cccc(NC(=O)c2ncn(-c3nc4ccccc4[nH]3)c2C(N)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
MAPK1 P28482 2/20 0.47
LMNA P02545 2/20 0.47
NTRK1 P04629 1/20 0.47
NTRK2 Q16620 1/20 0.47
FLT3 P36888 1/20 0.47
MAP4K1 Q92918 1/20 0.47
KDM4E B2RXH2 6/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
ATM Q13315 1/20 0.41
GAA P10253 2/20 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
SCHEMBL216069 0.89 MPO (0.47) MPOSMN1; SMN2LMNANTRK1FLT3
SCHEMBL213759 0.88 FADS1 (0.42) SMN1; SMN2MAPK1KDM4EMEN1KMT2A
SCHEMBL216364 0.88 NTRK1 (0.49) SMN1; SMN2MAPK1LMNANTRK1NTRK2
SCHEMBL217226 0.87 MEN1 (0.48) SMN1; SMN2MAPK1LMNANTRK1KDM4E
SCHEMBL216491 0.86 NTRK1 (0.47) SMN1; SMN2MAPK1NTRK1KDM4EMEN1
SCHEMBL214714 0.83 MAPT (0.44) SMN1; SMN2MAPK1LMNAKDM4EMEN1
SCHEMBL215595 0.83 ALDH1A1 (0.46) SMN1; SMN2LMNAKDM4EMEN1KMT2A
SCHEMBL216561 0.83 MAPT (0.49) SMN1; SMN2FLT3KDM4EMEN1KMT2A
SCHEMBL215132 0.82 CYP3A4 (0.44) SMN1; SMN2LMNAKDM4EMEN1KMT2A
SCHEMBL214976 0.82 LCK (0.44) SMN1; SMN2MAPK1LMNAKDM4EMEN1

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 MPO 2557/4885SMN1; SMN2 2516/4885MAPK1 354/4885

“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.