Sugi Predict

Sugi Predict / Compounds / SCHEMBL3549353

SCHEMBL3549353

SCHEMBL3549353

Cn1cnc2c(Cl)nc(Cl)c([N+](=O)[O-])c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.46
▸ RAB9A P51151 3/20 0.43
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ ALDH1A1 P00352 7/20 0.37
▸ GAA P10253 1/20 0.37
▸ LMNA P02545 4/20 0.37
▸ MAPT P10636 4/20 0.37
▸ HTT P42858 4/20 0.37
▸ NLRP1 Q9C000 1/20 0.37
▸ KMT2A Q03164 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ BLM P54132 1/20 0.35
▸ CDK1 P06493 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33

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
SCHEMBL3549241 0.84 YTHDC1 (0.47) KDM4ERAB9AALDH1A1YTHDC1
SCHEMBL3549239 0.83 KDM4E (0.40) KDM4ERAB9AHSP90AA1HSP90AB1ALDH1A1
SCHEMBL3546162 0.74 KDM4E (0.33) KDM4ERAB9AGAA
SCHEMBL5100235 0.72 KDM4E (0.46) KDM4ERAB9AHSP90AA1HSP90AB1ALDH1A1
SCHEMBL2766415 0.71 CDK1 (0.46) HSP90AA1HSP90AB1CDK1CYP1A2CYP2C9
SCHEMBL30632281 0.67 KDM4E (0.56) KDM4ERAB9AALDH1A1GAALMNA
SCHEMBL23122432 0.66 CDK1 (0.39) KDM4ERAB9AALDH1A1LMNAMAPT
SCHEMBL18227006 0.66 TSHR (0.38) HSP90AA1HSP90AB1ALDH1A1MAPTKMT2A
SCHEMBL5655436 0.65 CDK1 (0.33) CDK1YTHDC1
SCHEMBL14589259 0.65 CDK1 (0.33) CDK1YTHDC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683171-B2 N,1-Dimethyl-7-phenyl-1H-imidazo[4,5-d]thieno[3,2-b]pyridin-4-amine; treating inflammatory and immune diseases; cancer; I kappa B kinase (IKK) inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-23 — — US disclosed
US-7683171-B2 N,1-Dimethyl-7-phenyl-1H-imidazo[4,5-d]thieno[3,2-b]pyridin-4-amine; treating inflammatory and immune diseases; cancer; I kappa B kinase (IKK) inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-23 — — US disclosed
US-7683171-B2 N,1-Dimethyl-7-phenyl-1H-imidazo[4,5-d]thieno[3,2-b]pyridin-4-amine; treating inflammatory and immune diseases; cancer; I kappa B kinase (IKK) inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-23 — — US disclosed
WO-2007044050-A2 1H-IMIDAZO[4,5-D]THIENO[3,2-B]PYRIDINE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-19 — — WO disclosed
US-20060178393-A1 1H-imidazo[4,5-d]thieno[3,2-b]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2006-08-10 — — US 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-20060178393-A1 1H-imidazo[4,5-d]thieno[3,2-b]pyridine based tricyclic compounds and pharmaceutical compositions comprising same IL4, IL5, IRAK4 KDM4E 964/4885RAB9A 1120/4885HSP90AA1 3803/4885

“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.