Sugi Predict

Sugi Predict / Compounds / SCHEMBL1922341

SCHEMBL1922341

SCHEMBL1922341

CCOC(=O)Cc1cncc(-c2ccc(C(=O)NCc3ccccc3)cc2CN(Cc2ccccc2)C(=O)C2CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.43
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ ROCK2 O75116 6/20 0.41
▸ ROCK1 Q13464 4/20 0.41
▸ LPAR1 Q92633 2/20 0.39
▸ LPAR5 Q9H1C0 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KDM1A O60341 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ DGAT2 Q96PD7 1/20 0.37
▸ SCN2A Q99250 1/20 0.37
▸ SCN10A Q9Y5Y9 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL1922333 0.92 ALDH1A1 (0.42) KCNH2PTGDR2ALDH1A1LPAR1LPAR5
SCHEMBL1922764 0.90 ALDH1A1 (0.41) KCNH2PTGDR2ALDH1A1LPAR1LPAR5
SCHEMBL1922879 0.90 PTGDR2 (0.43) KCNH2PTGDR2ALDH1A1ROCK2ROCK1
SCHEMBL3366312 0.88 TSHR (0.43) KCNH2PTGDR2ALDH1A1LPAR1LPAR5
SCHEMBL16501871 0.87 ALDH1A1 (0.42) PTGDR2ALDH1A1LPAR1LPAR5SMN1; SMN2
SCHEMBL13427894 0.85 ALDH1A1 (0.39) ALDH1A1LPAR1LPAR5SMN1; SMN2RAB9A
SCHEMBL13428358 0.85 ALDH1A1 (0.40) PTGDR2ALDH1A1LPAR1LPAR5MEN1
SCHEMBL13428384 0.84 ALDH1A1 (0.39) PTGDR2ALDH1A1LPAR1LPAR5MEN1
SCHEMBL1923852 0.83 ALDH1A1 (0.41) PTGDR2ALDH1A1LPAR1LPAR5MEN1
SCHEMBL1922354 0.83 PTGDR2 (0.49) PTGDR2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 — — US disclosed
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 — — US disclosed
US-8049015-B2 Heteroaryl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2011-11-01 — — US disclosed
EP-2328869-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-06-08 — — EP disclosed
US-20100081673-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 — — US disclosed
WO-2010037054-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 — — WO disclosed
WO-2010037059-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 — — 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 (2 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-20100081673-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 KCNH2 2527/4885PTGDR2 2/4885ALDH1A1 1786/4885
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 KCNH2 3073/4885PTGDR2 2/4885ALDH1A1 2005/4885

“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.