Sugi Predict

Sugi Predict / Compounds / SCHEMBL8940444

SCHEMBL8940444

SCHEMBL8940444

CC(=O)N1[C@H](C)CN(c2nc(-c3c[nH]c4ncc(Cl)cc34)ccc2[N+](=O)[O-])C[C@@H]1C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ JAK2 O60674 1/20 0.36
▸ DYRK1B Q9Y463 3/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ DYRK1A Q13627 2/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CDK9 P50750 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
SCHEMBL8940460 0.86 HSD11B1 (0.38) JAK2CYP3A4ROCK1CCNT1CCNA2
SCHEMBL8940277 0.85 JAK2 (0.40) JAK2CYP3A4ROCK1CCNT1CCNA2
SCHEMBL8940656 0.85 JAK2 (0.36) POLBTDP1L3MBTL1JAK2DYRK1B
SCHEMBL8940347 0.85 JAK2 (0.37) JAK2CYP3A4ROCK1CCNT1CCNA2
SCHEMBL8940628 0.84 PIK3CD (0.38) JAK2CYP3A4ROCK1CCNT1CCNA2
SCHEMBL8940862 0.81 JAK2 (0.34) JAK2CYP3A4ROCK1CCNT1CCNA2
SCHEMBL8940227 0.81 JAK2 (0.42) JAK2CYP3A4ROCK1CCNT1CDK2
SCHEMBL8940053 0.81 CDK2 (0.43) JAK2DYRK1BCCNT1CCNA2CDK2
SCHEMBL15705222 0.79 JAK2 (0.36) JAK2
SCHEMBL8940608 0.78 JAK2 (0.34) TDP1JAK2CYP3A4ROCK1

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
US-20150152103-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2015-06-04 — — US disclosed
US-8722889-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-05-13 — — US disclosed
US-8722889-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-05-13 — — US disclosed
US-8501446-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-06 — — US disclosed
US-8188281-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 — — US disclosed
US-20090176763-A1 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 — — 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 (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-20090176763-A1 Azaindoles useful as inhibitors of JAK and other protein kinases JAK3, JAK2, JAK1 POLB 3406/4885TDP1 1274/4885L3MBTL1 3573/4885
US-20150152103-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES JAK3, JAK2, JAK1 POLB 3406/4885TDP1 1274/4885L3MBTL1 3573/4885

“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.