SCHEMBL215289

SCHEMBL215289

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

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.34
P2RY14 Q15391 1/20 0.34
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
ALPG P10696 1/20 0.32
CASP6 P55212 1/20 0.32
MAOB P27338 1/20 0.32
PRMT5 O14744 4/20 0.32
WDR77 Q9BQA1 1/20 0.32
SYK P43405 2/20 0.31
ROCK2 O75116 1/20 0.31
THRB P10828 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
P2RY12 Q9H244 1/20 0.31

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
SCHEMBL214219 0.88 ALDH1A1 (0.40) P2RY14PKMSMN1; SMN2THRB
SCHEMBL214152 0.85 ALDH1A1 (0.38) P2RY14SMN1; SMN2MAOBROCK2PDE3B
SCHEMBL216235 0.83 KDM4E (0.38) MAOB
SCHEMBL213848 0.78 KMT2A (0.43) SMN1; SMN2ROCK2PDE3BPDE3AP2RY12
SCHEMBL217227 0.77 POLB (0.37) PKMSMN1; SMN2THRB
SCHEMBL215290 0.76 MAPT (0.39) ALKP2RY14SMN1; SMN2
SCHEMBL215550 0.73 MAP2 (0.34) SMN1; SMN2
SCHEMBL213394 0.73 POLB (0.48) PKMSMN1; SMN2
SCHEMBL216492 0.72 POLB (0.37) PKMSMN1; SMN2THRB
SCHEMBL213794 0.71 POLB (0.38) PKMSMN1; SMN2SYKTHRB

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 ALK 540/4885P2RY14 1140/4885PKM 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.