Sugi Predict

Sugi Predict / Compounds / SCHEMBL3934824

SCHEMBL3934824

SCHEMBL3934824

COC(=O)c1cc(Cl)c(Cl)nc1CBr

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.40
▸ NQO2 P16083 7/20 0.40
▸ ABL1 P00519 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CYP4F2 P78329 1/20 0.37
▸ CYP4A11 Q02928 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PLA2G2A P14555 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL4737926 0.84 CYP4F2 (0.55) KDM4ECYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL22833387 0.81 GAA (0.49) GAAKDM4ENQO2ABL1HTT
SCHEMBL3931981 0.78 NPC1 (0.49) GAAKDM4ENQO2ABL1SMN1; SMN2
SCHEMBL22677359 0.77 GAA (0.49) GAAKDM4ENQO2ABL1HTT
SCHEMBL3718271 0.75 TUBB4A (0.49) GAAKDM4EABL1RXFP1ALDH1A1
SCHEMBL16616923 0.75 NPC1 (0.46) GAAKDM4ENQO2ABL1RXFP1
SCHEMBL29363921 0.75 TUBB4A (0.49) GAAKDM4EABL1RXFP1ALDH1A1
SCHEMBL9662525 0.75 HTT (0.47) GAAKDM4EABL1HTTCYP4F2
SCHEMBL4919152 0.74 OPRK1 (0.44) GAAKDM4EABL1CYP4F2CYP4A11
SCHEMBL16624279 0.74 NPC1 (0.47) GAAKDM4ENQO2ABL1RXFP1

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
WO-2009011627-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS ASTRAZENECA AB (SE) 2009-01-22 — — WO disclosed
US-20090018166-A1 New Pyridine Analogues X 161 ASTRAZENECA AB (SE) 2009-01-15 — — US disclosed
US-20080200448-A1 reversible and selective purinergic receptor P2Y12 antagonists; anticoagulants; cardiovascular disorders; e.g. ethyl 2-acetoxy-6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyanonicotinate ASTRAZENECA AB (SE) 2008-08-21 — — US disclosed
WO-2008085119-A1 NEW PYRIDINE ANALOGUES VIII 518 ASTRAZENECA AB (SE) 2008-07-17 — — 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-20090018166-A1 New Pyridine Analogues X 161 P2RY12, P2RY11, P2RY1 GAA 2890/4885KDM4E 3427/4885NQO2 1355/4885
US-20080200448-A1 reversible and selective purinergic receptor P2Y12 antagonists; anticoagulants; cardiovascular disorders; e.g. ethyl 2-acetoxy-6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyanonicotinate P2RY12, P2RY13, P2RY11 GAA 4214/4885KDM4E 2864/4885NQO2 2249/4885

“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.