SCHEMBL214778

SCHEMBL214778

Cc1cc(OC2CCN(Cc3ccccc3)CC2)ccc1NC(=O)c1ncn(-c2nc3ccccc3[nH]2)c1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 5/20 0.47
OPRK1 P41145 1/20 0.44
ROCK1 Q13464 2/20 0.41
ROCK2 O75116 1/20 0.40
CCR2 P41597 1/20 0.40
KIT P10721 1/20 0.40
FLT3 P36888 1/20 0.40
KDM1A O60341 1/20 0.39
HRH3 Q9Y5N1 5/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
MAPT P10636 1/20 0.38
NEK2 P51955 1/20 0.38
PLK1 P53350 1/20 0.38

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
SCHEMBL217126 0.92 MAPT (0.41) CHEK2KDM1AHRH3MAPT
SCHEMBL215754 0.88 KDM1A (0.42) CHEK2KDM1AHRH3MAOAMAPT
Hydrochloric Acid SCHEMBL213648 0.87 KDM1A (0.42) CHEK2KDM1AHRH3MAOAMAPT
SCHEMBL213393 0.83 MAPT (0.46) MAPT
SCHEMBL214143 0.83 KDM1A (0.42) CHEK2KDM1AMAOAMAPTPLK1
SCHEMBL214669 0.82 MAPT (0.39) KITFLT3MAPT
SCHEMBL213375 0.82 MAPT (0.48) CHEK2KITFLT3KDM1AHRH3
SCHEMBL215285 0.80 LTA4H (0.46)
SCHEMBL216140 0.80 CHEK2 (0.41) CHEK2KDM1AMAPT
SCHEMBL214316 0.80 BTK (0.42)

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.