SCHEMBL214630

SCHEMBL214630

Cc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2cc(OCCCN3CCOCC3)ccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
DHODH Q02127 1/20 0.40
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDR P35968 1/20 0.38
NR1I2 O75469 1/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
SRC P12931 1/20 0.36
RECQL P46063 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
EPHX2 P34913 3/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AURKB Q96GD4 1/20 0.36
ACHE P22303 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 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
SCHEMBL213924 0.94 ALDH1A1 (0.40) HRH3DHODHKDM4ESMN1; SMN2MAPT
SCHEMBL213821 0.93 HRH4 (0.42) HRH3KDM4ESMN1; SMN2MAPTALDH1A1
SCHEMBL213685 0.92 ALDH1A1 (0.38) KDM4ESMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL213244 0.92 ALDH1A1 (0.38) KDM4ESMN1; SMN2MAPTALDH1A1KMT2A
Hydrochloric Acid SCHEMBL213175 0.92 ITGB3 (0.38) KDM4ESMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL216099 0.90 MAPT (0.39) KDM4ESMN1; SMN2KDRNR1I2MAPT
SCHEMBL213711 0.89 ALDH1A1 (0.38) KDM4ESMN1; SMN2KDRMAPTALDH1A1
SCHEMBL3327359 0.89 LMNA (0.43) HRH3DHODHKDM4ESMN1; SMN2KDR
SCHEMBL215871 0.89 LMNA (0.43) HRH3DHODHKDM4ESMN1; SMN2KDR
Hydrochloric Acid SCHEMBL213385 0.88 MAPT (0.38) KDM4ESMN1; SMN2KDRMAPTALDH1A1

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 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 HRH3 1553/4885DHODH 3525/4885KDM4E 952/4885

“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.