SCHEMBL3549241

SCHEMBL3549241

CNc1nc(Cl)c([N+](=O)[O-])c2c1ncn2C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 2/20 0.47
IKBKB O14920 15/20 0.45
CHUK O15111 13/20 0.45
ALDH1A1 P00352 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CDK2 P24941 2/20 0.41
BTK Q06187 2/20 0.41
ITK Q08881 2/20 0.41
IKBKE Q14164 2/20 0.41
PLK1 P53350 1/20 0.41
RAB9A P51151 1/20 0.39

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 0.84 KDM4E (0.46) YTHDC1ALDH1A1KDM4ERAB9A
SCHEMBL3549239 0.77 KDM4E (0.40) ALDH1A1KDM4ERAB9A
SCHEMBL3546162 0.69 KDM4E (0.33) KDM4ERAB9A
SCHEMBL14589170 0.67 IKBKB (0.72) IKBKBCHUK
SCHEMBL14836661 0.66 LMNA (0.41) YTHDC1ALDH1A1RAB9A
SCHEMBL788318 0.65 CA1 (0.54) YTHDC1ALDH1A1RAB9A
SCHEMBL13828289 0.64 YTHDC1 (1.00) YTHDC1CDK2
SCHEMBL5100235 0.64 KDM4E (0.46) YTHDC1ALDH1A1KDM4ERAB9A
SCHEMBL13463994 0.64 IKBKB (0.62) YTHDC1IKBKBCHUKCDK2BTK
SCHEMBL2768411 0.63 YTHDC1 (0.55) YTHDC1IKBKBCHUKCDK2BTK

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 YTHDC1 3602/4885IKBKB 237/4885CHUK 828/4885

“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.