SCHEMBL2955848

SCHEMBL2955848

Cc1ccc(Nc2c(C#N)sc3c2ccc(=O)n3CC2CC2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.37
ABL1 P00519 1/20 0.37
ABL2 P42684 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
THRB P10828 2/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 2/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAP2K1 Q02750 2/20 0.33
CISD2 Q8N5K1 1/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31

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
SCHEMBL2958242 0.85 IDO1 (0.37) KMT2APOLBLMNARAB9AKDM4E
SCHEMBL2950416 0.84 MAPT (0.35) MEN1KMT2APOLBLMNAMAPK1
SCHEMBL2957886 0.82 THRB (0.39) RAPGEF4MEN1KMT2ATHRBPOLB
SCHEMBL2958519 0.82 LMNA (0.34) LMNATP53
SCHEMBL2955781 0.81 CDK4 (0.40) SMN1; SMN2KDM4EMAP2K1MAPK1
SCHEMBL2952224 0.74 ALDH1A1 (0.30)
SCHEMBL2958791 0.72 TNKS (0.36) LMNARAB9A
SCHEMBL2950128 0.70 FNTA (0.39) MEN1KMT2ALMNARAB9ASMN1; SMN2
SCHEMBL2952187 0.69 POLB (0.35) POLBKDM4EMAPK1
SCHEMBL2949261 0.68 IDO1 (0.39) MEN1KMT2APOLBRAB9ASMN1; SMN2

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
EP-2217610-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS Achaogen, Inc. (US) 2010-08-18 EP claimed
WO-2009067692-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2009-05-28 WO 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 SRC 115/4885ABL1 127/4885ABL2 191/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 SRC 93/4885ABL1 169/4885ABL2 217/4885

“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.