SCHEMBL214219

SCHEMBL214219

Cc1ccc(N(C(=O)c2nc[nH]c2C(N)=O)c2nc3ccc(OCC(=O)NCCN(C)C)cc3[nH]2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 1/20 0.37
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
P2RY14 Q15391 1/20 0.34
THRB P10828 1/20 0.34
CASP2 P42575 1/20 0.34
LMNA P02545 1/20 0.34
CHEK2 O96017 1/20 0.34
TP53 P04637 1/20 0.33
ACHE P22303 1/20 0.33
PFKFB3 Q16875 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL214152 0.88 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2P2RY14CHEK2TP53
SCHEMBL215289 0.88 ALK (0.34) PKMSMN1; SMN2P2RY14THRB
SCHEMBL216235 0.84 KDM4E (0.38) ALDH1A1CHEK2TP53KDM4EMAPT
SCHEMBL213848 0.79 KMT2A (0.43) ALDH1A1SMN1; SMN2LMNAMEN1MAPT
SCHEMBL217227 0.78 POLB (0.37) ALDH1A1NPSR1PKMSMN1; SMN2THRB
SCHEMBL2735334 0.76 ALDH1A1 (0.43) ALDH1A1NPSR1PKMSMN1; SMN2P2RY14
SCHEMBL215550 0.74 MAP2 (0.34) SMN1; SMN2LMNATP53HRH4KDM4E
SCHEMBL213394 0.74 POLB (0.48) ALDH1A1PKMSMN1; SMN2LMNATP53
SCHEMBL216492 0.73 POLB (0.37) ALDH1A1NPSR1PKMSMN1; SMN2THRB
SCHEMBL213794 0.72 POLB (0.38) ALDH1A1PKMSMN1; SMN2THRBLMNA

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 4 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

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 4295/4885NPSR1 4218/4885PKM 934/4885

“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.