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Sugi Predict / Compounds / SCHEMBL2950153

SCHEMBL2950153

SCHEMBL2950153

CN(C)CCN(C)C(=O)c1sc2c(ccc(=O)n2-c2ccccc2)c1Nc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BUB1 O43683 1/20 0.36
▸ MAT2A P31153 2/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ CCND2 P30279 1/20 0.33
▸ CCND3 P30281 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ PARP1 P09874 3/20 0.33
▸ MET P08581 1/20 0.33
▸ PRKCB P05771 2/20 0.32
▸ PRKCA P17252 2/20 0.32
▸ ATM Q13315 1/20 0.32
▸ CXCR2 P25025 2/20 0.32
▸ ATR Q13535 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ POLR1A O95602 1/20 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
SCHEMBL2958449 0.91 MCHR1 (0.38) BUB1CDK4CCND1CCND2CCND3
SCHEMBL2950157 0.88 CXCR2 (0.40) MAT2ACDK4CCND1CCND2CCND3
SCHEMBL2954144 0.86 ALDH1A1 (0.44) CDK4CCND1CCND2CCND3ALDH1A1
SCHEMBL2949462 0.84 ADORA2B (0.38) CDK4CCND1CCND2CCND3CXCR2
SCHEMBL2958436 0.83 KMT2A (0.41) CDK4CCND1CCND2CCND3ALDH1A1
Ammonia Solution, Strong SCHEMBL1267334 0.82 CDK4 (0.38) CDK4CCND1CCND2CCND3ATM
SCHEMBL2957695 0.81 CXCR2 (0.40) CDK4CCND1CCND2CCND3CXCR2
SCHEMBL2958575 0.81 CDK4 (0.38) CDK4CCND1CCND2CCND3CXCR2
SCHEMBL2949859 0.80 CDK4 (0.37) CDK4CCND1CCND2CCND3ALDH1A1
SCHEMBL2952845 0.80 CXCR2 (0.42) CDK4CCND1CCND2CCND3MET

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-7423047-B2 Arylamine substituted bicyclic heteroaromatic compounds as p38 kinase inhibitors CELLTECH R&D LIMITED (GB) 2008-09-09 — — US claimed
US-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors UCB PHARMA S.A. (BE) 2006-01-05 — — US claimed
US-7763729-B2 Bicyclic heteroaromatic derivatives UCB PHARMA S.A. (BE) 2010-07-27 — — US disclosed
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives CELLTECH R&D LIMITED (GB) 2009-02-12 — — US disclosed
US-7423047-B2 Arylamine substituted bicyclic heteroaromatic compounds as p38 kinase inhibitors CELLTECH R&D LIMITED (GB) 2008-09-09 — — US disclosed
US-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors UCB PHARMA S.A. (BE) 2006-01-05 — — 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-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors MAPK1, CNKSR1, ALK BUB1 1039/4885MAT2A 2474/4885CDK4 743/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 BUB1 1080/4885MAT2A 3129/4885CDK4 689/4885

“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.