SCHEMBL216299

SCHEMBL216299

Cc1ccc(Cl)cc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2cc(N3CCN(C)CC3)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.44
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
RPS6KA2 Q15349 1/20 0.39
F10 P00742 4/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38
MAP2 P11137 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
RAB9A P51151 1/20 0.37
CNR2 P34972 1/20 0.37
BRD4 O60885 1/20 0.37

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 0.94 HRH4 (0.50) HRH4OPRM1OPRD1RPS6KA2F10
SCHEMBL214921 0.91 KCNH2 (0.42) RPS6KA2GAALMNAKCNH2MAPT
SCHEMBL2735336 0.87 KCNH2 (0.42) OPRM1OPRD1RPS6KA2GAALMNA
SCHEMBL214480 0.86 HRH4 (0.42) HRH4RPS6KA2F10GAALMNA
SCHEMBL3988304 0.83 KDM4E (0.41) GAALMNAKCNH2MAPTKDM4E
SCHEMBL214507 0.83 GAA (0.38) GAALMNAKCNH2MAPTKDM4E
SCHEMBL2735267 0.82 NPC1 (0.52) GAAMAPTKDM4ERAB9A
Hydrochloric Acid SCHEMBL215305 0.82 GAA (0.38) GAALMNAKCNH2MAPTKDM4E
SCHEMBL2735381 0.82 ABCB1 (0.47) OPRM1OPRD1GAAMAPTKDM4E
SCHEMBL14222344 0.82 GAA (0.43) GAALMNAMAPTKDM4ERAB9A

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 12 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-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
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 1909/4885OPRM1 3516/4885OPRD1 3371/4885

“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.