Sugi Predict

Sugi Predict / Compounds / SCHEMBL104901

SCHEMBL104901

SCHEMBL104901

O=C(O)c1cc(Cl)nn2cnnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.40
▸ HTT P42858 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ KDR P35968 2/20 0.35
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 4/20 0.33
▸ DDO Q99489 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ KEAP1 Q14145 1/20 0.32
▸ NFE2L2 Q16236 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ PSMD14 O00487 1/20 0.31
▸ USP2 O75604 1/20 0.31

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
SCHEMBL5057070 0.81 KMT2A (0.41) KDM4EHTTMAPTALDH1A1HPGD
SCHEMBL104464 0.80 KDM4E (0.59) KDM4EHTTMAPTALDH1A1HPGD
SCHEMBL105123 0.78 BAZ2B (0.41) KDM4EHTTMAPTALDH1A1HPGD
SCHEMBL31201339 0.74 KDM4E (0.47) KDM4EHTTMAPTALDH1A1HPGD
SCHEMBL30521070 0.73 SMN1; SMN2 (0.36) ALDH1A1HPGDKDRLMNAKEAP1
SCHEMBL20159912 0.72 KDM4E (0.44) KDM4EHTTMAPTALDH1A1HPGD
SCHEMBL17857306 0.71 KDM4E (0.42) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL11288526 0.70 KEAP1 (0.32) KDM4EALDH1A1HPGDKEAP1NFE2L2
SCHEMBL14246825 0.69 L3MBTL1 (0.41) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL23993919 0.68 KDM4E (0.43) KDM4EHTTMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2460805-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION Oncotherapy Science, Inc. (JP) 2012-06-06 — — EP disclosed
EP-2460805-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION Oncotherapy Science, Inc. (JP) 2012-06-06 — — EP disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 — — US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 — — US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 — — US disclosed
WO-2011013729-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION オンコセラピー・サイエンス株式会社 (JP) 2011-02-03 — — 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 KDM4E 2800/4885HTT 4176/4885MAPT 4685/4885

“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.