SCHEMBL214921

SCHEMBL214921

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.42
RPS6KA2 Q15349 1/20 0.39
GAA P10253 2/20 0.38
KDM4E B2RXH2 5/20 0.37
TDP1 Q9NUW8 1/20 0.37
AURKA O14965 1/20 0.36
MAPT P10636 5/20 0.36
ALDH1A1 P00352 5/20 0.36
KMT2A Q03164 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ACHE P22303 1/20 0.36
MEN1 O00255 3/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RET P07949 1/20 0.35
LMNA P02545 2/20 0.35
RAB9A P51151 1/20 0.35
BRD4 O60885 1/20 0.35
CSF1R P07333 1/20 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
SCHEMBL3988304 0.92 KDM4E (0.41) KCNH2GAAKDM4ETDP1MAPT
SCHEMBL214507 0.92 GAA (0.38) KCNH2GAAKDM4ETDP1MAPT
Hydrochloric Acid SCHEMBL215305 0.92 GAA (0.38) KCNH2GAAKDM4ETDP1MAPT
SCHEMBL216299 0.91 HRH4 (0.44) KCNH2RPS6KA2GAAKDM4EMAPT
SCHEMBL215773 0.90 GAA (0.36) KCNH2GAAKDM4ETDP1AURKA
SCHEMBL214524 0.90 GAA (0.37) KCNH2GAAKDM4ETDP1MAPT
SCHEMBL214178 0.89 MAPT (0.41) GAAKDM4ETDP1MAPTALDH1A1
SCHEMBL214890 0.88 KMT2A (0.42) GAAKDM4ETDP1MAPTALDH1A1
SCHEMBL215907 0.88 BACE1 (0.44) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
Acetic Acid SCHEMBL214840 0.88 GAA (0.35) KCNH2GAAKDM4ETDP1AURKA

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 10 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-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 KCNH2 2774/4885RPS6KA2 268/4885GAA 2375/4885

“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.