SCHEMBL2958449

SCHEMBL2958449

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.38
LMNA P02545 3/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
POLB P06746 3/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CCND2 P30279 1/20 0.32
CCND3 P30281 1/20 0.32
TSHR P16473 2/20 0.32
MITF O75030 1/20 0.32
HTT P42858 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
SCHEMBL2950153 0.91 BUB1 (0.36) MEN1KMT2APOLBALDH1A1CYP2C9
SCHEMBL2954144 0.86 ALDH1A1 (0.44) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL2952787 0.85 LMNA (0.47) MCHR1LMNAMAPTMEN1KMT2A
SCHEMBL2950157 0.85 CXCR2 (0.40) LMNAMAPTMEN1KMT2APOLB
SCHEMBL2949462 0.82 ADORA2B (0.38) LMNAMAPTALDH1A1HPGDTRPM8
SCHEMBL2958436 0.81 KMT2A (0.41) LMNAMAPTMEN1KMT2AALDH1A1
Ammonia Solution, Strong SCHEMBL1267334 0.80 CDK4 (0.38) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL2952845 0.79 CXCR2 (0.42) LMNAMAPTALDH1A1HPGDCDK4
SCHEMBL2957695 0.79 CXCR2 (0.40) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL2958575 0.79 CDK4 (0.38) MAPTMEN1KMT2AALDH1A1HPGD

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 MCHR1 437/4885LMNA 3193/4885MAPT 4305/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 MCHR1 611/4885LMNA 3052/4885MAPT 4495/4885

“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.