SCHEMBL214779

SCHEMBL214779

Cc1cc(OC2CCN(Cc3ccccc3)CC2)ccc1N(C(=O)c1nc[nH]c1C(N)=O)c1nc2ccccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 9/20 0.47
OPRK1 P41145 1/20 0.44
ROCK1 Q13464 2/20 0.40
ROCK2 O75116 1/20 0.40
CCR2 P41597 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
JAK1 P23458 1/20 0.39
PARP1 P09874 1/20 0.38
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
KCNH2 Q12809 1/20 0.36
MCHR1 Q99705 1/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL217127 0.92 HRH3 (0.37) CHEK2OPRK1PARP1KCNH2
SCHEMBL215755 0.87 CHEK2 (0.39) CHEK2ROCK1ROCK2JAK1
Hydrochloric Acid SCHEMBL213649 0.86 CHEK2 (0.38) CHEK2ROCK1ROCK2JAK1
SCHEMBL213794 0.85 POLB (0.38) CHEK2SMN1; SMN2
Hydrochloric Acid SCHEMBL215094 0.85 POLB (0.37) CHEK2
SCHEMBL213394 0.82 POLB (0.48) SMN1; SMN2
SCHEMBL213376 0.82 POLB (0.43) CHEK2PARP1
SCHEMBL214670 0.81 POLB (0.36) CHEK2MAOB
SCHEMBL215286 0.81 LTA4H (0.46) ACHESMN1; SMN2
SCHEMBL214317 0.80 LTA4H (0.41)

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 CHEK2 412/4885OPRK1 1822/4885ROCK1 316/4885

“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.