SCHEMBL214480

SCHEMBL214480

Cc1ccc(Cl)cc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2ccc(N3CCNCC3)cc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.42
KDM1A O60341 1/20 0.40
RPS6KA2 Q15349 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
RPS6KA3 P51812 1/20 0.38
GAA P10253 1/20 0.38
HDAC3 O15379 2/20 0.38
LMNA P02545 1/20 0.38
ABCB1 P08183 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
MAPKAPK2 P49137 1/20 0.37
CNR2 P34972 1/20 0.36
F10 P00742 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 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
SCHEMBL2735450 0.92 HRH4 (0.50) HRH4KDM1ARPS6KA2GAALMNA
SCHEMBL216765 0.91 KCNH2 (0.41) RPS6KA2SMN1; SMN2HTTGAAHDAC3
SCHEMBL216299 0.86 HRH4 (0.44) HRH4RPS6KA2GAALMNAKDM4E
SCHEMBL214507 0.84 GAA (0.38) SMN1; SMN2HTTGAAHDAC3LMNA
Hydrochloric Acid SCHEMBL215305 0.84 GAA (0.38) SMN1; SMN2HTTGAAHDAC3LMNA
SCHEMBL2735358 0.83 GAA (0.44) SMN1; SMN2HTTGAAHDAC3LMNA
SCHEMBL2735267 0.82 NPC1 (0.52) SMN1; SMN2HTTGAAABCB1KDM4E
SCHEMBL2735448 0.81 CHEK2 (0.41) HRH4RPS6KA2SMN1; SMN2HTTGAA
SCHEMBL2735381 0.80 ABCB1 (0.47) SMN1; SMN2HTTGAAABCB1KDM4E
SCHEMBL214329 0.79 HRH4 (0.41) HRH4RPS6KA2SMN1; SMN2GAAKDM4E

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 disclosed
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
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 HRH4 1909/4885KDM1A 963/4885RPS6KA2 268/4885

“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.