SCHEMBL1011694

SCHEMBL1011694

CON(C)C(=O)c1ccc(C#N)cc1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.42
MTOR P42345 3/20 0.42
OXTR P30559 2/20 0.39
LRRK2 Q5S007 1/20 0.39
EGLN1 Q9GZT9 2/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
MLYCD O95822 1/20 0.36
NSD2 O96028 1/20 0.36
NCEH1 Q6PIU2 2/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
AR P10275 1/20 0.35
AVPR1A P37288 1/20 0.35
NOTUM Q6P988 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 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
SCHEMBL17888648 0.84 PIK3CA (0.45) PIK3CAMTORNSD2
SCHEMBL16224744 0.84 PIK3CA (0.45) PIK3CAMTORMRGPRX4NCEH1PDK1
SCHEMBL286133 0.79 MLYCD (0.51) MLYCDNSD2CA1CA2
SCHEMBL289565 0.78 LRRK2 (0.45) LRRK2MRGPRX4PDK2PDK4CA1
SCHEMBL18057574 0.76 RAB9A (0.45) MLYCD
SCHEMBL12857970 0.76 HTT (0.53) PDK1PDK2PDK3PDK4AR
SCHEMBL1349358 0.76 MEN1 (0.45) PIK3CAMTORMLYCDNCEH1
SCHEMBL3361866 0.75 LRRK2 (0.48) LRRK2MRGPRX4NOTUMCA1CA2
SCHEMBL289026 0.75 XDH (0.49) LRRK2MRGPRX4NOTUMCA1CA2
SCHEMBL310054 0.74 GSK3B (0.50)

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-20110034466-A1 NOVEL FIVE-MEMBERED RING COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-02-10 US disclosed
US-20110034466-A1 NOVEL FIVE-MEMBERED RING COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-02-10 US disclosed
EP-2272835-A1 NOVEL FIVE-MEMBERED RING COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2011-01-12 EP disclosed
WO-2009131171-A1 NOVEL FIVE-MEMBERED RING COMPOUND 大日本住友製薬株式会社 (JP) 2009-10-29 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-20110034466-A1 NOVEL FIVE-MEMBERED RING COMPOUND CCL11, CCR1, CCR10 PIK3CA 3198/4885MTOR 1930/4885OXTR 1249/4885

“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.