SCHEMBL2952686

SCHEMBL2952686

CCOC(=O)c1sc2c(ccc(=O)n2-c2ccccc2)c1Nc1cccnc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 6/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
CSF1R P07333 1/20 0.40
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
MDM2 Q00987 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 3/20 0.38
METTL3 Q86U44 1/20 0.38
RECQL P46063 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL1266639 0.88 MAPT (0.51) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL2950371 0.83 MAPT (0.46) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL1266606 0.83 MAPT (0.49) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL2954053 0.82 DHODH (0.50) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL1266311 0.82 MAPT (0.43) MEN1KMT2AALDH1A1MAPTCSF1R
SCHEMBL2949958 0.82 CSF1R (0.44) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL3837194 0.82 ALDH1A1 (0.47) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL2959775 0.82 FNTA (0.43) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL2952196 0.80 MAPT (0.52) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL2955002 0.80 FNTA (0.44) MEN1KMT2AALDH1A1MAPTRAB9A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763729-B2 Bicyclic heteroaromatic derivatives UCB PHARMA S.A. (BE) 2010-07-27 US claimed
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives CELLTECH R&D LIMITED (GB) 2009-02-12 US claimed
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 MEN1 4273/4885KMT2A 1316/4885ALDH1A1 1045/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 MEN1 3906/4885KMT2A 1383/4885ALDH1A1 717/4885

“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.