SCHEMBL3549239

SCHEMBL3549239

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 4/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
BLM P54132 1/20 0.33
NLRP1 Q9C000 1/20 0.33
GAA P10253 1/20 0.33
CDK1 P06493 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL3549353 0.83 KDM4E (0.46) KDM4EHSP90AA1HSP90AB1RAB9AALDH1A1
SCHEMBL3549241 0.77 YTHDC1 (0.47) KDM4ERAB9AALDH1A1
SCHEMBL3546162 0.68 KDM4E (0.33) KDM4ERAB9AGAA
SCHEMBL6658994 0.64 CA1 (0.43) KDM4EHSP90AA1HSP90AB1RAB9AALDH1A1
SCHEMBL5100235 0.63 KDM4E (0.46) KDM4EHSP90AA1HSP90AB1RAB9AALDH1A1
SCHEMBL30632281 0.62 KDM4E (0.56) KDM4ERAB9AALDH1A1LMNAMAPT
SCHEMBL2267641 0.61 ALDH1A1 (0.43) RAB9AALDH1A1LMNAMAPTHTT
SCHEMBL3577096 0.60 ALDH1A1 (0.37) RAB9AALDH1A1LMNAMAPTHTT
SCHEMBL19330842 0.60 L3MBTL1 (0.48) KDM4ERAB9AALDH1A1MAPTHTT
SCHEMBL2766415 0.59 CDK1 (0.46) HSP90AA1HSP90AB1CDK1CYP1A2CYP2C19

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 2 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-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 964/4885HSP90AA1 3803/4885HSP90AB1 2950/4885

“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.