SCHEMBL214319

SCHEMBL214319

Cc1ccc(Br)cc1-n1cnc(C(N)=O)c1C(=O)Nc1nc2cc(OCC(=O)NCC3CCCO3)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 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
SCHEMBL215291 0.89 MAPT (0.34) ALDH1A1KDM4EHPGDRAB9AMAPT
SCHEMBL213666 0.84 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDSMN1; SMN2RAB9A
SCHEMBL214620 0.82 CHEK2 (0.39) RAB9AKMT2ANPC1MEN1
Hydrochloric Acid SCHEMBL216277 0.81 CHEK2 (0.39) RAB9AKMT2ANPC1MEN1
SCHEMBL214823 0.81 CHEK2 (0.35) KDM4ERAB9AMAPTKMT2ANPC1
SCHEMBL213923 0.80 CHEK2 (0.41) ALDH1A1KDM4EKMT2AMEN1
Hydrochloric Acid SCHEMBL213800 0.80 CHEK2 (0.35) KDM4ERAB9AMAPTKMT2ANPC1
SCHEMBL214629 0.80 HRH3 (0.39) KDM4EHPGDSMN1; SMN2KMT2AMEN1
SCHEMBL214940 0.79 HDAC6 (0.38) KDM4ERAB9AMAPTGAAKMT2A
SCHEMBL216098 0.79 KCNA5 (0.37) ALDH1A1KDM4ERAB9AKMT2ALMNA

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 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-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 ALDH1A1 4295/4885KDM4E 952/4885HPGD 3138/4885

“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.