SCHEMBL5548989

SCHEMBL5548989

O=C(O)c1cnc(-c2ccncc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.52
▸ NAPRT Q6XQN6 3/20 0.52
▸ HCAR2 Q8TDS4 1/20 0.52
▸ P4HTM Q9NXG6 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ KMO O15229 2/20 0.41
▸ P4HA1 P13674 1/20 0.41
▸ MIF P14174 1/20 0.41
▸ LDHA P00338 1/20 0.41
▸ PRKDC P78527 1/20 0.40
▸ ATR Q13535 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM6B O15054 1/20 0.40
▸ TET3 O43151 1/20 0.40
▸ KDM4A O75164 1/20 0.40
▸ BBOX1 O75936 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KDM5A P29375 1/20 0.40

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
SCHEMBL2929188 0.85 LDHA (0.56) KDM4ENAPRTP4HTMLMNAL3MBTL1
SCHEMBL27905615 0.80 KMO (0.58) KDM4EP4HTMLMNAL3MBTL1KMO
SCHEMBL3744416 0.80 NPC1 (0.51) KDM4EP4HTMKMOP4HA1MIF
SCHEMBL1549854 0.80 P2RY14 (0.47) KDM4EKMOASPHKDM8
SCHEMBL19863968 0.79 LMNA (0.56) LMNAGSK3BMAPTMAPK1CYP3A4
SCHEMBL10328676 0.77 CSNK2A1 (0.42) KDM4ENAPRTHCAR2P4HTMP4HA1
SCHEMBL31512829 0.76 P4HTM (0.52) KDM4ENAPRTHCAR2P4HTMLMNA
SCHEMBL1830422 0.76 KDM4E (0.64) KDM4ENAPRTHCAR2P4HTMLMNA
SCHEMBL70035 0.74 KDM4E (0.59) KDM4ENAPRTHCAR2P4HTMLMNA
SCHEMBL5734988 0.74 LDHA (0.73) NAPRTHCAR2P4HTMP4HA1MIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 — — US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 — — US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 — — US disclosed
CN-1745071-A Novel ethylenediamine derivative DAIICHI SEIYAKU CO (JP) 2006-03-08 — — CN disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 — — EP disclosed
US-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 — — US disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 — — US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 — — EP 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S KDM4E 3425/4885NAPRT 4227/4885HCAR2 376/4885
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 KDM4E 3346/4885NAPRT 4322/4885HCAR2 1611/4885

“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.

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