SCHEMBL5904321

SCHEMBL5904321

COc1ccc(-c2cc(C#N)cnc2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.51
KDM4E B2RXH2 5/20 0.47
KDM1A O60341 1/20 0.44
MAPT P10636 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
MAPKAPK2 P49137 1/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 5/20 0.43
RXFP1 Q9HBX9 3/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SQOR Q9Y6N5 1/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5904305 0.84 KDM1A (0.59) HPGDSKDM4EKDM1AMAPTNPSR1
SCHEMBL5904131 0.77 KDM1A (0.50) HPGDSKDM4EKDM1AMAPTNPSR1
SCHEMBL7284716 0.75 KDM4E (0.65) HPGDSKDM4EKDM1AMAPTALDH1A1
SCHEMBL31097921 0.74 CNR1 (0.48) KDM4EKDM1AMAPTNPSR1MAPKAPK2
SCHEMBL15420633 0.73 HPGDS (0.51) HPGDSKDM4EKDM1ANPSR1ALDH1A1
SCHEMBL11751427 0.73 CLK4 (0.55) HPGDSKDM4EMAPTNPSR1ALDH1A1
SCHEMBL31651999 0.73 HPGDS (0.51) HPGDSKDM4EMAPTALDH1A1HTT
SCHEMBL21597025 0.73 HPGDS (0.51) HPGDSKDM4EMAPTALDH1A1HTT
SCHEMBL1162717 0.72 KDM4E (0.61) KDM4EMAPTNPSR1ALDH1A1HPGD
SCHEMBL1623590 0.71 ALDH1A1 (0.56) KDM4EMAPTNPSR1ALDH1A1HPGD

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-20060128757-A1 Pyridine derivatives useful as cyclooxygenase inhibitor ASTELLAS PHARMA INC. (JP) 2006-06-15 US disclosed
EP-1355885-A1 PYRIDINE DERIVATIVES USEFUL AS CYCLOOXYGENASE INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-10-29 EP disclosed
US-20030119877-A1 Pyridine derivatives useful as cyclooxygenase inhibitor ASTELLAS PHARMA INC. (JP) 2003-06-26 US disclosed
WO-2002055502-A1 PYRIDINE DERIVATIVES USEFUL AS CYCLOOXYGENASE INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-18 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-20030119877-A1 Pyridine derivatives useful as cyclooxygenase inhibitor PTGS1, PTGIS, PTGER1 HPGDS 17/4885KDM4E 1924/4885KDM1A 408/4885
US-20060128757-A1 Pyridine derivatives useful as cyclooxygenase inhibitor PTGS1, PTGIS, PTGS2 HPGDS 23/4885KDM4E 1069/4885KDM1A 183/4885

“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.