SCHEMBL213716

SCHEMBL213716

NC(=O)c1c(C(=O)Nc2ccc(OC3CCNCC3)cc2)ncn1-c1nc2ccccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
KDM1A O60341 5/20 0.43
KCNH2 Q12809 1/20 0.41
CHEK2 O96017 1/20 0.41
RCOR1 Q9UKL0 1/20 0.40
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CSF1R P07333 1/20 0.36
FLT3 P36888 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
MKNK1 Q9BUB5 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
Hydrochloric Acid SCHEMBL216264 0.99 MAPT (0.43) MAPTKDM1AKCNH2CHEK2RCOR1
SCHEMBL213375 0.88 MAPT (0.48) MAPTKDM1ACHEK2RCOR1POLB
SCHEMBL215754 0.88 KDM1A (0.42) MAPTKDM1ACHEK2RCOR1POLB
Hydrochloric Acid SCHEMBL213648 0.87 KDM1A (0.42) MAPTKDM1ACHEK2RCOR1
SCHEMBL216561 0.85 MAPT (0.49) MAPTPOLBSMN1; SMN2FLT3
SCHEMBL214143 0.83 KDM1A (0.42) MAPTKDM1ACHEK2RCOR1POLB
SCHEMBL215769 0.82 PARP1 (0.46) POLBSMN1; SMN2
SCHEMBL216069 0.82 MPO (0.47) MAPTLMNASMN1; SMN2FLT3
SCHEMBL214470 0.82 KDM1A (0.44) MAPTKDM1ACHEK2RCOR1LMNA
SCHEMBL214697 0.81 KDM1A (0.42) MAPTKDM1ACHEK2RCOR1SMN1; SMN2

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 MAPT 2138/4885KDM1A 963/4885KCNH2 2774/4885

“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.