SCHEMBL213666

SCHEMBL213666

Cc1ccc(Br)cc1-n1cnc(C(N)=O)c1C(=O)Nc1nc2cc(OCC(=O)NCc3ccncc3)ccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 2/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
STAT3 P40763 1/20 0.34
POLB P06746 1/20 0.34
ADORA2A P29274 1/20 0.34

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
SCHEMBL213493 0.89 ROCK2 (0.39) ALDH1A1KDM4EHPGDRECQLKMT2A
SCHEMBL215291 0.85 MAPT (0.34) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL214319 0.84 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL214560 0.83 MEN1 (0.42) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL214940 0.82 HDAC6 (0.38) KDM4EKMT2AMEN1MAPTLMNA
SCHEMBL214620 0.80 CHEK2 (0.39) KMT2AMEN1NPC1RAB9AROCK2
SCHEMBL213923 0.80 CHEK2 (0.41) ALDH1A1KDM4EKMT2AMEN1
SCHEMBL216098 0.80 KCNA5 (0.37) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL214519 0.80 TBK1 (0.38)
Hydrochloric Acid SCHEMBL216277 0.80 CHEK2 (0.39) KMT2AMEN1NPC1RAB9A

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.