SCHEMBL216732

SCHEMBL216732

Cc1ccncc1NC(=O)c1ncn(-c2nc3ccccc3[nH]2)c1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.40
CNR1 P21554 1/20 0.39
GSK3A P49840 2/20 0.38
ATR Q13535 3/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
STK33 Q9BYT3 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
CYP3A4 P08684 2/20 0.35
HTT P42858 2/20 0.35

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
SCHEMBL214714 0.90 MAPT (0.44) ATRKDM4EALDH1A1MEN1KMT2A
SCHEMBL216491 0.86 NTRK1 (0.47) KDM4EALDH1A1MEN1KMT2ANPSR1
SCHEMBL213503 0.85 STK33 (0.39) ATRKDM4EALDH1A1STK33MEN1
SCHEMBL217226 0.85 MEN1 (0.48) KDM4EALDH1A1MEN1KMT2ANPSR1
SCHEMBL215595 0.85 ALDH1A1 (0.46) KDM4EALDH1A1MEN1KMT2ANPSR1
SCHEMBL215893 0.85 MAPT (0.43) KDM4EALDH1A1MEN1KMT2ANPSR1
SCHEMBL214938 0.85 MAPT (0.47) KDM4EALDH1A1STK33MEN1KMT2A
SCHEMBL214337 0.85 NPSR1 (0.45) KDM4EALDH1A1STK33MEN1KMT2A
SCHEMBL214139 0.83 MAPT (0.49) KDM4ESTK33MEN1KMT2ANPSR1
SCHEMBL214872 0.82 MAPT (0.42) KDM4EALDH1A1KMT2ANPSR1MAPT

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 GSK3B 175/4885CNR1 2616/4885GSK3A 199/4885

“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.