SCHEMBL215769

SCHEMBL215769

NC(=O)c1c(C(=O)NC2CCNCC2)ncn1-c1nc2ccccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.46
SMYD3 Q9H7B4 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HTR4 Q13639 1/20 0.40
HTR3A P46098 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TYRO3 Q06418 1/20 0.37
CHEK1 O14757 1/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
JAK1 P23458 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL215115 0.91 SMN1; SMN2 (0.48) PARP1SMYD3SMN1; SMN2NPC1RAB9A
SCHEMBL213716 0.82 MAPT (0.44) SMN1; SMN2POLB
SCHEMBL213807 0.82 CHEK2 (0.43) SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL216264 0.82 MAPT (0.43) SMN1; SMN2POLB
SCHEMBL213906 0.79 CNR1 (0.44) SMN1; SMN2NPC1RAB9APOLB
SCHEMBL215754 0.79 KDM1A (0.42) POLB
Hydrochloric Acid SCHEMBL213648 0.79 KDM1A (0.42)
SCHEMBL213970 0.77 SMN1; SMN2 (0.48) SMN1; SMN2RAB9APOLB
SCHEMBL214646 0.77 EPHB3 (0.44) SMN1; SMN2POLBTDP1
SCHEMBL215132 0.77 CYP3A4 (0.44) SMN1; SMN2NPC1RAB9APOLBTDP1

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 PARP1 3502/4885SMYD3 2593/4885SMN1; SMN2 2516/4885

“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.