SCHEMBL2953704

SCHEMBL2953704

CN1CCN(CCCNC(=O)c2sc3c(ccc(=O)n3-c3ccccc3)c2Nc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 5/20 0.45
HSD17B10 Q99714 4/20 0.45
KMT2A Q03164 3/20 0.45
HPGD P15428 3/20 0.45
MAPK1 P28482 2/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
DRD2 P14416 1/20 0.44
PARP1 P09874 1/20 0.42
RAD52 P43351 2/20 0.42
TP53 P04637 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
AHR P35869 1/20 0.42
STAT3 P40763 1/20 0.42

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
SCHEMBL2958448 0.90 ALDH1A1 (0.50) MAPTKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL5651076 0.87 BCL2L1 (0.47) MAPTKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL2958735 0.86 MEN1 (0.47) MAPTKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL2953745 0.84 LMNA (0.51) MAPTKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL2952845 0.82 CXCR2 (0.42) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2949078 0.81 NAMPT (0.48) CYP1A2CYP2C9KDM4EALDH1A1HSD17B10
SCHEMBL2952787 0.80 LMNA (0.47) MAPTKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL2957695 0.80 CXCR2 (0.40) MAPTALDH1A1KMT2AHPGDMEN1
SCHEMBL2956215 0.80 PARP1 (0.42) MAPTKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL2949859 0.79 CDK4 (0.37) MAPTKDM4EALDH1A1HSD17B10KMT2A

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 MAPT 4305/4885CYP1A2 351/4885CYP2C9 966/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 MAPT 4495/4885CYP1A2 378/4885CYP2C9 1048/4885

“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.